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CAS No.: | 145901-11-7 |
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Name: | 6-NITRO-1H-PYRROLO[2,3-B]PYRIDINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H5N3O2 |
Molecular Weight: | 133.153 |
Synonyms: | 6-Amino-7-azaindole; |
EINECS: | 145-896-5 |
Density: | 1.367 g/cm3 |
Melting Point: | 126.7℃ |
Boiling Point: | 354.651 °C at 760 mmHg |
Flash Point: | 195.469 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 54.70000 |
LogP: | 1.72630 |
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This chemical is called 1H-Pyrrolo[2,3-b]pyridin-6-amine, and its CAS registry number is 145901-11-7. With the molecular formula of C7H5N3O2, its molecular weight is 163.13. Additionally, its product category is Pyridine.
Other characteristics of the 1H-Pyrrolo[2,3-b]pyridin-6-amine can be summarised as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 121; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.7 Å2; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 40.856 cm3; (15)Molar Volume: 97.376 cm3; (16)Polarizability: 16.197×10-24cm3; (17)Surface Tension: 79.421 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 195.469 °C; (20)Enthalpy of Vaporization: 59.971 kJ/mol; (21)Boiling Point: 354.651 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Production method of this chemical: The 1H-Pyrrolo[2,3-b]pyridin-6-amine could be obtained by the reactant of 6-bromo-7-azaindole. This reaction needs the reagent of 35percent aq. NH3. The yield is 80 %. In addition, this reaction should be taken for 12 hours at the temperature of 200 °C.
Uses of this chemical: The 1H-Pyrrolo[2,3-b]pyridin-6-amine could react with isophthaloyl dichloride, and obtain the N,N'-bis-(1H-pyrrolo[2,3-b]pyridin-6-yl)-isophthalamide. This reaction needs the reagent of Et3N, and the solvent of CH2Cl2. The yield is 48 %. In addition, this reaction should be taken for 12 hours at the ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(ccc2c1ncc2)N
2.InChI: InChI=1/C7H7N3/c8-6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H3,8,9,10)
3.InChIKey: OHPOAAFCWFZVPF-UHFFFAOYAJ