3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo- supplier

Name
3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo-
EINECS
CAS No. 868171-67-9
Article Data23
CAS DataBase
Density 1.655 g/cm³
Solubility
Melting Point 213-215 °C
Formula C₁₃H₉BrFNO₃
Boiling Point 402.3 °C at 760 mmHg
Molecular Weight 233.199
Flash Point 197.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-1-(4-fluoro-phenyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester;
PSA 59.30000
LogP 1.67480

3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo- Specification

The CAS registry number of 3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo- is 868171-67-9. This chemical is also named as 5-Bromo-1-(4-fluoro-phenyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester. In addition, its molecular formula is C₁₃H₉BrFNO₃ and molecular weight is 326.1179. Its systematic name is called methyl 5-bromo-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo- are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 69.12 cm³; (8)Molar Volume: 196.9 cm³; (9)Surface Tension: 56.3 dyne/cm; (10)Density: 1.655 g/cm³; (11)Flash Point: 197.1 °C; (12)Enthalpy of Vaporization: 65.35 kJ/mol; (13)Boiling Point: 402.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N2/C=C(\C=C(\Br)C2=O)C(=O)OC
(2)InChI: InChI=1/C13H9BrFNO3/c1-19-13(18)8-6-11(14)12(17)16(7-8)10-4-2-9(15)3-5-10/h2-7H,1H3
(3)InChIKey: MFLOEMJHBPDMHW-UHFFFAOYAP

Product Name

3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo-

3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo- Specification

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