4-(2-Pyridin-3-ylethyl)benzoic acid

HCID 308686

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Basic information

CAS: 75987-51-8
Standard SMILES: O=C(O)c1ccc(CCc2cccnc2)cc1
InChIKey: RZBZOCNOFMVKIA-UHFFFAOYSA-N
Molecular formula: C14H13NO2
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.09462866

Names & identifiers

Preferred name: 4-(2-Pyridin-3-ylethyl)benzoic acid
IUPAC: 4-(2-pyridin-3-ylethyl)benzoic acid

Names & synonyms

75987-51-84-(2-pyridin-3-ylethyl)benzoic acidNSC210559SCHEMBL8996251DTXSID20308994RZBZOCNOFMVKIA-UHFFFAOYSA-N4-(2-(3-pyridyl)ethyl)benzoic acidNSC-2105594-[2-(PYRIDIN-3-YL)ETHYL]BENZOIC ACID

Database identifiers

CAS: 75987-51-8
PubChem CID: 308686
DTXSID: DTXSID20308994

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 247

Related reactions

1 records

New reaction record

HRID 864470As reactantuspto-grants-1996_10

Compound notes

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