1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid supplier

Name
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid
EINECS
CAS No. 17288-35-6
Article Data7
CAS DataBase
Density 1.506 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 224 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Azaindole-2-carboxylic acid;
PSA 65.98000
LogP 1.26110

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid Specification

The 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, with the CAS registry number 17288-35-6, is also known as 4-Azaindole-2-carboxylic acid. This chemical's molecular formula is C₈H₆N₂O₂ and molecular weight is 162.04. What's more, its IUPAC name is the same with its product name.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 43.54 cm³; (13)Molar Volume: 107.6 cm³; (14)Surface Tension: 85.2 dyne/cm; (15)Density: 1.506 g/cm³; (16)Flash Point: 224 °C; (17)Enthalpy of Vaporization: 74.3 kJ/mol; (18)Boiling Point: 446.8 °C at 760 mmHg; (19)Vapour Pressure: 9.1E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2ncccc2n1
(2) InChI: InChI=1S/C8H6N2O2/c11-8(12)7-4-6-5(10-7)2-1-3-9-6/h1-4,10H,(H,11,12)
(3) InChIKey: KBHQUFPZXCNYKN-UHFFFAOYSA-N

Product Name

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid Specification

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