3-benzylpyridine

C12H11N — CID 12112

IUPAC3-benzylpyridine
SMILESc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
InChIKeyUUCLVSDUMKMBSM-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.67
Rot. Bonds2

About 3-benzylpyridine

3-benzylpyridine (PubChem CID 12112) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-benzylpyridine.

Molecular Properties

Compound Name3-benzylpyridine
PubChem CID12112
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-benzylpyridine
SMILESc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
InChIKeyUUCLVSDUMKMBSM-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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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
Anabasine
CID 205586
Paraquat dichloride
CID 15938
Nornicotine
CID 91462
Triprolidine
CID 5282443
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Quinoline
CID 7047
4-Methylpyridine
CID 7963

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyridine?
The IUPAC name of 3-benzylpyridine (CID 12112) is 3-benzylpyridine.
What is the SMILES notation for 3-benzylpyridine?
The canonical SMILES for 3-benzylpyridine is c1ccc(Cc2cccnc2)cc1.
What is the InChIKey of 3-benzylpyridine?
The InChIKey is UUCLVSDUMKMBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2.
What are the key properties of 3-benzylpyridine?
3-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 3-benzylpyridine is sourced from PubChem (CID 12112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).