1-benzyl-5-methyl-2H-pyridine

C13H15N — CID 15225953

IUPAC1-benzyl-5-methyl-2H-pyridine
SMILESCC1=CN(Cc2ccccc2)CC=C1
InChIInChI=1S/C13H15N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3
InChIKeyAFJWKVYGWFXYAD-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.96
Rot. Bonds2

About 1-benzyl-5-methyl-2H-pyridine

1-benzyl-5-methyl-2H-pyridine (PubChem CID 15225953) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-benzyl-5-methyl-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-methyl-2H-pyridine
PubChem CID15225953
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1-benzyl-5-methyl-2H-pyridine
SMILESCC1=CN(Cc2ccccc2)CC=C1
InChIInChI=1S/C13H15N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3
InChIKeyAFJWKVYGWFXYAD-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-5-methyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-2H-pyridine?
The IUPAC name of 1-benzyl-5-methyl-2H-pyridine (CID 15225953) is 1-benzyl-5-methyl-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-methyl-2H-pyridine?
The canonical SMILES for 1-benzyl-5-methyl-2H-pyridine is CC1=CN(Cc2ccccc2)CC=C1.
What is the InChIKey of 1-benzyl-5-methyl-2H-pyridine?
The InChIKey is AFJWKVYGWFXYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-benzyl-5-methyl-2H-pyridine?
1-benzyl-5-methyl-2H-pyridine has a molecular weight of 185.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-2H-pyridine is sourced from PubChem (CID 15225953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).