2-Methyl-6-(5-phenylpent-1-ynyl)pyridine

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Basic information

CAS: 851854-15-4
Standard SMILES: Cc1cccc(C#CCCCc2ccccc2)n1
InChIKey: NJJSTWRJIALOHE-UHFFFAOYSA-N
Molecular formula: C17H17N
Average molar mass: 235.32 g/mol
Monoisotopic mass: 235.13609955

Names & identifiers

Preferred name: 2-Methyl-6-(5-phenylpent-1-ynyl)pyridine
IUPAC: 2-methyl-6-(5-phenylpent-1-ynyl)pyridine

Names & synonyms

2-methyl-6-(5-phenylpent-1-ynyl)pyridine82JC37QRA6851854-15-4CHEMBL-3780402-Methyl-6-(5-phenyl-1-pentyn-1-yl)pyridinePyridine, 2-methyl-6-(5-phenyl-1-pentyn-1-yl)-RefChem:197861UNII-82JC37QRA6CHEMBL3780402-methyl-6-(5-phenylpent-1-yn-1-yl)pyridineSCHEMBL5703524BDBM50191123

Show more names

PD180560DB-303567

Database identifiers

CAS: 851854-15-4
PubChem CID: 44416004
ChEMBL: CHEMBL378040
UNII: 82JC37QRA6

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 289

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Compound notes

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