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85237-65-6

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Basic Information
CAS No.: 85237-65-6
Name: 2-(4-FLUOROPHENYL)-5-METHYLPYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 85237-65-6 (2-(4-FLUOROPHENYL)-5-METHYLPYRIDINE)
Formula: C12H10FN
Molecular Weight: 187.217
Synonyms: 5-Methyl-2-(4-fluorophenyl)pyridine;
EINECS: 286-425-4
Density: 1.111 g/cm3
Boiling Point: 285.6 °C at 760 mmHg
Flash Point: 126.5 °C
PSA: 12.89000
LogP: 3.19610
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Specification

The Pyridine, 2-(4-fluorophenyl)-5-methyl-, with the CAS registry number 85237-65-6, is also known as 5-Methyl-2-(4-fluorophenyl)pyridine. Its EINECS registry number is 286-425-4. This chemical's molecular formula is C12H10FN and molecular weight is 187.21. What's more, its IUPAC name is 2-(4-Fluorophenyl)-5-methylpyridine.

Physical properties about Pyridine, 2-(4-fluorophenyl)-5-methyl- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 97.69; (6)ACD/BCF (pH 7.4): 116.67; (7)ACD/KOC (pH 5.5): 878.43; (8)ACD/KOC (pH 7.4): 1049.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 53.75 cm3; (15)Molar Volume: 168.4 cm3; (16)Polarizability: 21.31×10-24 cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 50.36 kJ/mol; (21)Boiling Point: 285.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00477 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(c1ncc(cc1)C)cc2
(2) InChI: InChI=1/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3
(3) InChIKey: WSVYYUKIXFSDTE-UHFFFAOYAQ