Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid |
EINECS | N/A |
CAS No. | 130473-27-7 | Density | 1.507 g/cm3 |
PSA | 65.98000 | LogP | 1.26110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6N2O2 | Boiling Point | 471.131 °C at 760 mmHg |
Molecular Weight | 162.148 | Flash Point | 238.731 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI); |
Article Data | 7 |
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: 17.265×10-24 cm3; (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