3-(2-methylphenyl)pyridine

C12H11N — CID 4133191

IUPAC3-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1cccnc1
InChIInChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3
InChIKeyRWQQGQLBQBGMTO-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.06
Rot. Bonds1

About 3-(2-methylphenyl)pyridine

3-(2-methylphenyl)pyridine (PubChem CID 4133191) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)pyridine
PubChem CID4133191
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1cccnc1
InChIInChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3
InChIKeyRWQQGQLBQBGMTO-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)pyridine?
The IUPAC name of 3-(2-methylphenyl)pyridine (CID 4133191) is 3-(2-methylphenyl)pyridine.
What is the SMILES notation for 3-(2-methylphenyl)pyridine?
The canonical SMILES for 3-(2-methylphenyl)pyridine is Cc1ccccc1-c1cccnc1.
What is the InChIKey of 3-(2-methylphenyl)pyridine?
The InChIKey is RWQQGQLBQBGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3.
What are the key properties of 3-(2-methylphenyl)pyridine?
3-(2-methylphenyl)pyridine has a molecular weight of 169.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)pyridine is sourced from PubChem (CID 4133191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).