1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid supplier

Name
1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI)
EINECS
CAS No. 130473-27-7
Article Data7
CAS DataBase
Density 1.507 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 471.131 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 238.731 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI);
PSA 65.98000
LogP 1.26110

1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid Specification

This chemical's CAS registry number is 130473-27-7 and it belongs to the product category of Glycinescaffold. Its molecular formula is C₈H₆N₂O₂ and molecular weight is 162.1454. What's more, its systematic name is also called 1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Physical properties about 1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid are: (1)ACD/LogP: 1.65; (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: 43.55 cm³; (13)Molar Volume: 107.625 cm³; (14)Polarizability: 17.265×10^-24cm³; (15)Surface Tension: 85.206 dyne/cm; (16)Density: 1.507 g/cm³; (17)Flash Point: 238.731 °C; (18)Enthalpy of Vaporization: 77.308 kJ/mol; (19)Boiling Point: 471.131 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2ccnc2cn1
(2) InChI: InChI=1/C8H6N2O2/c11-8(12)6-3-5-1-2-9-7(5)4-10-6/h1-4,9H,(H,11,12)
(3) InChIKey: GMCCMHXRFLJCMC-UHFFFAOYAT

Product Name

1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI)

1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid Specification

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