Basic information
- Name:
3-Pyridinecarboxylicacid, 2,6-difluoro-
- Superlist Name:
- 2,6-Difluoropyridine-3-carboxylic acid
- CAS No.:
171178-50-0
- Molecular Structure:
- Formula:
- C6H3F2NO2
- Molecular Weight:
- 159.09
- Synonyms:
- 2,6-Difluoronicotinicacid;
- Density:
- 1.536 g/cm3
- Melting Point:
- 165-167 °C
- Boiling Point:
- 304.695 °C at 760 mmHg
- Flash Point:
- 138.075 °C
- Hazard Symbols:
Xi
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Specification
The 2,6-Difluoropyridine-3-carboxylic acid, with the cas registry number 171178-50-0, is also called 2,6-Difluoro-3-pyridinecarboxylic acid. It belongs to the following product categories: Halide; Carboxylicacid; Building Blocks; Fluorinated; Pyridine. And the molecular formula of the chemical is C6H3F2NO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 31.262 cm3; (15)Molar Volume: 103.606 cm3; (16)Polarizability: 12.393×10-24cm3; (17)Surface Tension: 51.687 dyne/cm; (18)Density: 1.536 g/cm3; (19)Flash Point: 138.075 °C; (20)Enthalpy of Vaporization: 57.556 kJ/mol; (21)Boiling Point: 304.695 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc(F)nc1F
(2)InChI: InChI=1/C6H3F2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
(3)InChIKey: IEVMFAWRTJEFCF-UHFFFAOYAI
