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| Name |
3-Pyridinecarbonitrile,2-fluoro-6-methyl- |
EINECS | N/A |
| CAS No. | 54957-80-1 | Density | 1.19 g/cm3 |
| PSA | 36.68000 | LogP | 1.40078 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H5FN2 | Boiling Point | 235.3 °C at 760 mmHg |
| Molecular Weight | 136.13 | Flash Point | 96.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
2-fluoro-6-methyl-pyridine-3-carbonitrile;3-pyridinecarbonitrile, 2-fluoro-6-methyl-;2-fluoro-6-methylpyridine-3-carbonitrile;3-Cyano-2-fluoro-6-methylpyridine;3-Cyano-2-fluoro-6-picoline;3-Cyano-2-Fluoro-6-Picoline3-Cyano-2-Fluoro-6-Methyl Pyridine; |
3-Pyridinecarbonitrile,2-fluoro-6-methyl- Specification
The 3-Pyridinecarbonitrile,2-fluoro-6-methyl-, with the CAS registry number 54957-80-1, has the systematic name of 2-fluoro-6-methyl-pyridine-3-carbonitrile. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C7H5FN2.
The characteristics of 3-Pyridinecarbonitrile,2-fluoro-6-methyl- are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å2; (9)Index of Refraction: 1.506; (10)Molar Refractivity: 33.85 cm3; (11)Molar Volume: 113.8 cm3; (12)Polarizability: 13.42×10-24cm3; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.19 g/cm3; (15)Flash Point: 96.1 °C; (16)Enthalpy of Vaporization: 47.21 kJ/mol; (17)Boiling Point: 235.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0503 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(c(n1)F)C#N
(2)InChI: InChI=1/C7H5FN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
(3)InChIKey: YHGWMSLBTCAHJR-UHFFFAOYAS
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