Name: 5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE
SKU: 17288-40-3

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Basic Information

Molecular Structure:
CAS No.:	17288-40-3
Name:	5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE
Article Data:	16

Formula:	C₈H₈N₂O
Molecular Weight:	148.164
Synonyms:	5-Methoxy-4-azaindole;5-Methoxypyrrolo[3,2-b]pyridine;
Density:	1.244 g/cm³
Melting Point:	115-116 °C
Boiling Point:	284.5 °C at 760 mmHg
Flash Point:	98.3 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	26-39
PSA:	37.91000
LogP:	1.57150

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Specification

The CAS registry number of 1H-Pyrrolo[3,2-b]pyridine,5-methoxy- is 17288-40-3. The systematic name is 5-methoxy-1H-pyrrolo[3,2-b]pyridine. In addition, the molecular formula is C₈H₈N₂O and the molecular weight is 148.16. It is a kind of irritating chemical and should be stored in a cool and dry place.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine,5-methoxy- are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): -0.84; (3)ACD/LogD (pH 7.4): 0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 1.67; (7)ACD/KOC (pH 7.4): 38.79; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 27.05 Å²; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 43.29 cm³; (14)Molar Volume: 119 cm³; (15)Polarizability: 17.16 ×10^-24cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 98.3 °C; (19)Enthalpy of Vaporization: 50.25 kJ/mol; (20)Boiling Point: 284.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00509 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(OC)ccc2c1ccn2
(2)InChI: InChI=1/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
(3)InChIKey: WTIFEVSWZUSXQL-UHFFFAOYAX