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| CAS No.: | 58584-92-2 |
|---|---|
| Name: | 2-Amino-5-chloropyridine-3-carboxylic acid |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C6H5ClN2O2 |
| Molecular Weight: | 172.571 |
| Synonyms: | 2-Amino-6-chloropyridine-3-carboxylic acid;2-Amino-6-chloronicotinic acid;Acide 2-amino-6-chloronicotinique; |
| Density: | 1.577 g/cm3 |
| Melting Point: | 195-197 °C(dec) |
| Boiling Point: | 383.321 °C at 760 mmHg |
| Flash Point: | 185.626 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 76.21000 |
| LogP: | 1.59660 |
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Specification
The 3-Pyridinecarboxylic acid, 2-amino-6-chloro-, with the CAS registry number 58584-92-2, is also known as Acide 2-amino-6-chloronicotinique. This chemical's molecular formula is C6H5ClN2O2 and molecular weight is 172.57. What's more, its systematic name is 2-amino-6-chloropyridine-3-carboxylic acid.
Physical properties of 3-Pyridinecarboxylic acid, 2-amino-6-chloro- are: (1)ACD/LogP: 1.84; (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): 3; (6) ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 40.405 cm3; (13)Molar Volume: 109.418 cm3; (14)Polarizability: 16.018×10-24cm3; (15)Surface Tension: 78.078 dyne/cm; (16)Density: 1.577 g/cm3; (17)Flash Point: 185.626 °C; (18)Enthalpy of Vaporization: 66.648 kJ/mol; (19)Boiling Point: 383.321 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(Cl)nc1N
(2)InChI: InChI=1S/C6H5ClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H2,8,9)(H,10,11)
(3)InChIKey: INERBKPRIWEQRQ-UHFFFAOYSA-N