4-benzylpyridine

C12H11N — CID 16458

IUPAC4-benzylpyridine
SMILESc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKeyDBOLXXRVIFGDTI-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.67
Rot. Bonds2

About 4-benzylpyridine

4-benzylpyridine (PubChem CID 16458) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-benzylpyridine.

Molecular Properties

Compound Name4-benzylpyridine
PubChem CID16458
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name4-benzylpyridine
SMILESc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKeyDBOLXXRVIFGDTI-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzylpyridine?
The IUPAC name of 4-benzylpyridine (CID 16458) is 4-benzylpyridine.
What is the SMILES notation for 4-benzylpyridine?
The canonical SMILES for 4-benzylpyridine is c1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 4-benzylpyridine?
The InChIKey is DBOLXXRVIFGDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2.
What are the key properties of 4-benzylpyridine?
4-benzylpyridine has a molecular weight of 169.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpyridine is sourced from PubChem (CID 16458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).