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Basic Information
CAS No.: 1020056-33-0
Name: 1H-Pyrrolo[3,2-b]pyridine-6-carbaldehyde
Molecular Structure:
Molecular Structure of 1020056-33-0 (1H-Pyrrolo[3,2-b]pyridine-6-carbaldehyde)
Formula: C8H6N2O
Molecular Weight: 146.146
Synonyms: 1H-pyrrolo[3,2-b]pyridine-6-carboxaldehyde;
Density: 1.368 g/cm3
Boiling Point: 361.1 °C at 760 mmHg
Flash Point: 176 °C
Hazard Symbols: IrritantXi
PSA: 45.75000
LogP: 1.37540
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Specification

The CAS registry number of 1H-Pyrrolo[3,2-b]pyridine-6-carbaldehyde is 1020056-33-0. This chemical's molecular formula is C8H6N2O and molecular weight is 146.146. What's more, its systematic name is called 1H-Pyrrolo[2,3-e]pyridine-6-carbaldehyde.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-6-carbaldehyde are: (1)ACD/LogP: 0.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.2; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.75 Å2; (9)Index of Refraction: 1.747; (10)Molar Refractivity: 43.37 cm3; (11)Molar Volume: 106.7 cm3; (12)Polarizability: 17.19×10-24 cm3; (13)Surface Tension: 71 dyne/cm; (14)Density: 1.368 g/cm3; (15)Flash Point: 176 °C; (16)Enthalpy of Vaporization: 60.69 kJ/mol; (17)Boiling Point: 361.1 °C at 760 mmHg; (18)Vapour Pressure: 2.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc2nccc2nc1
(2) InChI: InChI=1/C8H6N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-5,9H
(3) InChIKey: HRLUESWIQOAEBQ-UHFFFAOYAZ