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CAS No.: | 74420-16-9 |
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Name: | 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H7N3O |
Molecular Weight: | 161.163 |
Synonyms: | 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI); |
Density: | 1.416 g/cm3 |
PSA: | 71.77000 |
LogP: | 1.36210 |
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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