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5-Azaindole
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Name

5-Azaindole

 EINECS 676-348-8
CAS No. 271-34-1 Density 1.242 g/cm3
PSA 28.68000 LogP 1.56290
Solubility Hardly soluble in water. Soluble in methanol and chloroform. Melting Point 104.6-108.4°C
Formula C7H6N2 Boiling Point 295.8 °C at 760 mmHg
Molecular Weight 398.224 Flash Point 137.4 °C
Transport Information N/A Appearance off-white to yellowish crystalline powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 271-34-1 (5-Azaindole) Hazard Symbols IrritantXi
Synonyms

5-23-06-00304 (Beilstein Handbook Reference);1H-Pyrrolo[3,2-c]pyridine;4,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene;1H-Pyrrolo(3,2-c)pyridine;3,7-Dideazapurine;1,5-Diazaindene;

Article Data 36

5-Azaindole Synthetic route

60290-21-3

4-chloro-1H-pyrrolo-[3,2-c]-pyridine

271-34-1

5-azaindole

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol96%
148760-75-2

tert-butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylate

271-34-1

5-azaindole

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane at 20℃; for 1.5h;95%
148760-46-7

3-(4-Morpholinovinylene)-4-nitropyridine 1-oxide

271-34-1

5-azaindole

Conditions
ConditionsYield
With hydrogen; nickel In ethanol; water under 14.7 - 22.07 Torr; 1) 15 h, 20 deg C, 2) 3-5 h, 60 deg C;92%
148760-47-8

3-Dimethylaminovinylene-4-nitropyridine

271-34-1

5-azaindole

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol under 14.7 - 22.07 Torr; 1) 1 h, 20 deg C, 2) 3 h, 60 deg C;91%
123367-22-6

(E)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-3-yl)ethenamine

271-34-1

5-azaindole

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol at 60℃; under 3750.38 Torr; for 4h; Inert atmosphere;91%
With hydrogen; palladium on activated charcoal In ethanol under 14.7 - 22.07 Torr; 1) 1 h, 20 deg C, 2) 3 h, 60 deg C;87%
With hydrogen; Raney nickel In ethanol; water at 20 - 40℃; under 750.075 Torr; for 5.25h;76%
19798-77-7

4-amino-3-chloropyridine

74-86-2

acetylene

271-34-1

5-azaindole

Conditions
ConditionsYield
With Ni(1,5-cyclooctadiene)2 In tetrahydrofuran; diethyl ether at 110℃; for 4.5h; Temperature; Microwave irradiation;90.4%
146336-80-3

N-(3-((Z)-2-ethoxyvinyl)pyridin-4-yl)acetamide

271-34-1

5-azaindole

Conditions
ConditionsYield
With hydrogenchloride In methanol for 2h; Heating;90%
With hydrogenchloride In methanol; water for 5h; Inert atmosphere; Reflux;1.9 g
raney's nickel

raney's nickel

3-(β-dimethylaminovinyl)-4-nitro-pyridine-1-oxide

271-34-1

5-azaindole

Conditions
ConditionsYield
In ethanol; water84%
1239605-12-9

3-ethynyl-4-pyridinamine

271-34-1

5-azaindole

Conditions
ConditionsYield
With pyrrolidine In water at 200℃; for 0.25h; Microwave irradiation;82%
104118-88-9

3-dimethylaminovinylene-4-nitropyridine-l-oxide

271-34-1

5-azaindole

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol at 20 - 65℃; under 1500.15 - 2250.23 Torr; for 8h; Inert atmosphere; Autoclave;74.5%

5-Azaindole Specification

The 5-Azaindole is an organic compound with the formula C7H6N2. The IUPAC name of this chemical is 1H-pyrrolo[3,2-c]pyridine. With the CAS registry number 271-34-1, it is also named as 3,7-Dideazapurine. The product's categories are Indoles and Derivatives; Indole; Heterocyclic Compounds; Indole Series; Azaindole; Building Blocks. It is used as reagent for organic synthesis.

The other characteristics of 5-Azaindole can be summarized as: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.392; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.855; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 36.62 cm3; (13)Molar Volume: 95.095 cm3; (14)Polarizability: 14.517×10-24 cm3; (15)Surface Tension: 60.176 dyne/cm; (16)Enthalpy of Vaporization: 51.406 kJ/mol; (17)Vapour Pressure: 0.003 mmHg at 25°C; (18)Tautomer Count: 2; (19)Exact Mass: 118.053098; (20)MonoIsotopic Mass: 118.053098; (21)Topological Polar Surface Area: 28.7; (22)Heavy Atom Count: 9; (23)Complexity: 103.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c[nH]c2c1cncc2
2. InChI:InChI=1/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
3. InChIKey:SRSKXJVMVSSSHB-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
5. Std. InChIKey:SRSKXJVMVSSSHB-UHFFFAOYSA-N

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963.

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