CAS 85237-65-6 2-(4-Fluorophenyl)-5-methylpyridine (HCID 3020567)

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Basic information

CAS: 85237-65-6
Standard SMILES: Cc1ccc(-c2ccc(F)cc2)nc1
InChIKey: WSVYYUKIXFSDTE-UHFFFAOYSA-N
Molecular formula: C12H10FN
Average molar mass: 187.21 g/mol
Monoisotopic mass: 187.07972754

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-5-methylpyridine
IUPAC: 2-(4-fluorophenyl)-5-methylpyridine
English name: 2-(4-Fluorophenyl)-5-methylpyridine
Molecular formula: C12H10FN
Molecular weight: 187.21

Names & synonyms

2-(4-Fluorophenyl)-5-methylpyridine85237-65-6EINECS 286-425-4DTXSID40234448RefChem:84405DTXCID40156939286-425-45-Methyl-2-(4-fluorophenyl)pyridineMFCD09037512PWA96KQ36TAKOS006330772AS-62087

Show more names

F-mppyF-mppyHp-F(Me)ppy2-(4-Fluorophenyl)-5-methylpyridine, min. 97%2-(4-Fluorophenyl)-5-methylpyridine - [F71827]

Pyridine, 2-(4-fluorophenyl)-5-methyl-CS-0106272D93002Z1198184340Pyridine,2-(4-fluorophenyl)-5-methyl-2-(4'-fluorophenyl)-5-meSCHEMBL2997318WSVYYUKIXFSDTE-UHFFFAOYSA-N

Database identifiers

CAS: 85237-65-6
PubChem CID: 3020567
DTXSID: DTXSID40234448
UNII: PWA96KQ36T
EC Number: 286-425-4
Nikkaji: J333.871A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 58 · 58-59 °C
Boiling point: 285.6 · 285.6±25.0 °C(Predicted)
Density: 1.111 · 1.111±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.8 · 4.80±0.25(Predicted)
form: powder or crystals
Appearance: White to off-white Solid
InChI: InChI=1S/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3
InChIKey: WSVYYUKIXFSDTE-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(F)C=C2)=NC=C(C)C=C1
FDA UNII: 96 KQ36T · PWA96KQ36T
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313