2-Methyl-5-phenylpyridine

HCID 76744

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Basic information

CAS: 3256-88-0
Standard SMILES: Cc1ccc(-c2ccccc2)cn1
InChIKey: JXNAIOCJWBJGFQ-UHFFFAOYSA-N
Molecular formula: C12H11N
Average molar mass: 169.22 g/mol
Monoisotopic mass: 169.08914935

Names & identifiers

Preferred name: 2-Methyl-5-phenylpyridine
IUPAC: 2-methyl-5-phenylpyridine
English name: 2-Methyl-5-phenylpyridine
Molecular formula: C12H11N
Molecular weight: 169.22

Names & synonyms

2-Methyl-5-phenylpyridine2-Picoline, 5-phenyl-Pyridine, 2-methyl-5-phenyl-EINECS 221-854-2DTXSID4062937RefChem:88188DTXCID7038529221-854-2JXNAIOCJWBJGFQ-UHFFFAOYSA-N3256-88-02-Methyl-5-phenyl-pyridineMFCD00129776

Show more names

2-methyl-5-phenyl-pyridin(2-Bromo-5-methoxy-54-methyl-phenyl)-methano

5-Phenyl-2-picoline5-phenyl-2-methylpyridine3-Phenyl-6-methylpyridine3-phenyl-6-methyl pyridine2-methyl-5-(phenyl)pyridineSCHEMBL456032SCHEMBL538283SCHEMBL715027

Database identifiers

CAS: 3256-88-0
PubChem CID: 76744
DTXSID: DTXSID4062937
EC Number: 221-854-2
Nikkaji: J46.762F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 288.52 °C · 288.52°C (rough estimate)
Density: 1.059 · 1.0590
refractive index: 1.6055 · 1.6055 (estimate)
pka: 5.57 · 5.57±0.10(Predicted)
EPA Substance Registry System: 2 · 2-Methyl-5-phenylpyridine (3256-88-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
TSCA: TSCA listed