(2-methylphenyl)-pyridin-3-ylmethanol

C13H13NO — CID 4179630

IUPAC(2-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1ccccc1C(O)c1cccnc1
InChIInChI=1S/C13H13NO/c1-10-5-2-3-7-12(10)13(15)11-6-4-8-14-9-11/h2-9,13,15H,1H3
InChIKeyFLPCEDJQHXICRU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.47
Rot. Bonds2

About (2-methylphenyl)-pyridin-3-ylmethanol

(2-methylphenyl)-pyridin-3-ylmethanol (PubChem CID 4179630) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-methylphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-methylphenyl)-pyridin-3-ylmethanol
PubChem CID4179630
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(2-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1ccccc1C(O)c1cccnc1
InChIInChI=1S/C13H13NO/c1-10-5-2-3-7-12(10)13(15)11-6-4-8-14-9-11/h2-9,13,15H,1H3
InChIKeyFLPCEDJQHXICRU-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methylphenyl)-pyridin-3-ylmethanol 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 (2-methylphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-methylphenyl)-pyridin-3-ylmethanol (CID 4179630) is (2-methylphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-methylphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-methylphenyl)-pyridin-3-ylmethanol is Cc1ccccc1C(O)c1cccnc1.
What is the InChIKey of (2-methylphenyl)-pyridin-3-ylmethanol?
The InChIKey is FLPCEDJQHXICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-2-3-7-12(10)13(15)11-6-4-8-14-9-11/h2-9,13,15H,1H3.
What are the key properties of (2-methylphenyl)-pyridin-3-ylmethanol?
(2-methylphenyl)-pyridin-3-ylmethanol has a molecular weight of 199.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 4179630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).