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

Name
1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI)
EINECS
CAS No. 74420-16-9
Article Data6
CAS DataBase
Density 1.416 g/cm³
Solubility
Melting Point
Formula C₈H₇N₃O
Boiling Point
Molecular Weight 161.163
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI);
PSA 71.77000
LogP 1.36210

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

This chemical's CAS registry number is 74420-16-9, it belongs to the product category of Amide. Its molecular formula is C₈H₇N₃O and molecular weight is 161.1607. What's more, its systematic name is called 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide are: (1)ACD/LogP: 0.50; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.77 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 45.55 cm³; (15)Molar Volume: 113.796 cm³; (16)Polarizability: 18.058×10^-24 cm³; (17)Surface Tension: 79.026 dyne/cm; (18)Density: 1.416 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: NC(=O)c2cnc1ncccc12
(2) InChI: InChI=1/C8H7N3O/c9-7(12)6-4-11-8-5(6)2-1-3-10-8/h1-4H,(H2,9,12)(H,10,11)
(3) InChIKey: CQZYCDBHEULOFD-UHFFFAOYAS

Product Name

1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI)

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

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