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| CAS No.: | 1092286-30-0 |
|---|---|
| Name: | 3-Pyridinecarboxylic acid, 5-chloro-2-methyl- |
| Molecular Structure: | |
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| Formula: | C7H6ClNO2 |
| Molecular Weight: | 171.583 |
| Synonyms: | 5-Chloro-2-methylnicotinic acid; |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 298 °C at 760 mmHg |
| Flash Point: | 134 °C |
| PSA: | 50.19000 |
| LogP: | 1.74160 |
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Specification
This chemical is called 5-Chloro-2-methyl-3-pyridinecarboxylic acid, and it's also named as 3-Pyridinecarboxylic acid, 5-chloro-2-methyl-. With the molecular formula of C7H6ClNO2, its molecular weight is 171.58. The CAS registry number of this chemical is 1092286-30-0.
Other characteristics of the 5-Chloro-2-methyl-3-pyridinecarboxylic acid can be summarised as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 40.99 cm3; (9)Molar Volume: 123.4 cm3; (10)Polarizability: 16.25×10-24cm3; (11)Surface Tension: 55.6 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 134 °C; (14)Enthalpy of Vaporization: 56.8 kJ/mol; (15)Boiling Point: 298 °C at 760 mmHg; (16)Vapour Pressure: 0.000584 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(cc(cn1)Cl)C(=O)O
2.InChI: InChI=1/C7H6ClNO2/c1-4-6(7(10)11)2-5(8)3-9-4/h2-3H,1H3,(H,10,11)
3.InChIKey: DXQDHJSBBMMJOY-UHFFFAOYAN