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| CAS No.: | 800401-65-4 |
|---|---|
| Name: | 5-AZAINDOLE-2-CARBOXYLIC ACID |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.148 |
| Synonyms: | 1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID;5-AZAINDOLE-2-CARBOXYLIC ACID;5-Azaindole-5-carboxylic acid;1H-pyrrolo[3,2-c]pyridine-2-carbo×ylic acid |
| EINECS: | 1.506 g/cm3 |
| Density: | 1.507g/cm3 |
| Boiling Point: | 446.8 °C at 760 mmHg |
| Flash Point: | 224 °C |
| PSA: | 65.98000 |
| LogP: | 1.26110 |
- 800401-67-61H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-chloro-, ethyl ester
- 800401-68-71H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-chloro-
- 800401-70-11H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-bromo-, ethyl ester
- 800401-71-21H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-bromo-
- 800401-84-71H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 5-chloro-
- 800402-07-71H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 6-chloro-
- 80040-79-5D-arabino-Hex-5-enitol,2,6-anhydro-5-deoxy-1,3,4-tris-O-(phenylmethyl)-
- 800408-77-91,2,4-Thiadiazole,3-methyl-5-(4-nitrophenyl)-
- 8004-13-5PHENYL ETHER-BIPHENYL MIXTURE
- 80041-89-0Isopropylboronic acid
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Specification
The CAS registry number of 5-Azaindole-2-carboxylic acid is 800401-65-4. In addition, the molecular formula is C8H6N2O2 and the molecular weight is 162.04. It is also called 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 5-Azaindole-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)Polarizability: 17.26 ×10-24cm3; (15)Surface Tension: 85.2 dyne/cm; (16)Density: 1.506 g/cm3; (17)Flash Point: 224 °C; (18)Enthalpy of Vaporization: 74.3 kJ/mol; (19)Boiling Point: 446.8 °C at 760 mmHg; (20)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)Std. 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)Std. InChIKey: KBHQUFPZXCNYKN-UHFFFAOYSA-N