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| CAS No.: | 884494-57-9 |
|---|---|
| Name: | 5-Chloro-2-fluoronicotinic acid |
| Molecular Structure: | |
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| Formula: | C6H3ClFNO2 |
| Molecular Weight: | 175.54 |
| Synonyms: | 5-CHLORO-2-FLUORONICOTINIC ACID;2-FLUORO-5-CHLORONICOTINIC ACID;5-Chloro-2-fluoro-3-pyridinecarboxylic acid |
| Density: | 1.577 g/cm3 |
| Boiling Point: | 308.18 °C at 760 mmHg |
| Flash Point: | 140.183 °C |
| PSA: | 50.19000 |
| LogP: | 1.57230 |
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Specification
The 5-Chloro-2-fluoronicotinic acid, with CAS registry number 884494-57-9, has the systematic name of 5-chloro-2-fluoro-pyridine-3-carboxylic acid. And its IUPAC name is 5-chloro-2-fluoropyridine-3-carboxylic acid. And the chemical formula of this chemical is C6H3ClFNO2.
Physical properties of 5-Chloro-2-fluoronicotinic acid: (1)ACD/LogP: 1.19; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 36.163 cm3; (13)Molar Volume: 111.347 cm3; (14)Polarizability: 14.336×10-24cm3; (15)Surface Tension: 57.445 dyne/cm; (16)Enthalpy of Vaporization: 57.95 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1C(=O)O)F)Cl
(2)InChI: InChI=1/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(3)InChIKey: TYSZXBYTBZUZQB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(5)Std. InChIKey: TYSZXBYTBZUZQB-UHFFFAOYSA-N