1-(2-methyl-6-phenyl-3-pyridinyl)ethanone

C14H13NO — CID 900920

IUPAC1-(2-methyl-6-phenyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C14H13NO/c1-10-13(11(2)16)8-9-14(15-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyZSLMAABFZHCMJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone

1-(2-methyl-6-phenyl-3-pyridinyl)ethanone (PubChem CID 900920) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-phenyl-3-pyridinyl)ethanone
PubChem CID900920
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(2-methyl-6-phenyl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C14H13NO/c1-10-13(11(2)16)8-9-14(15-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyZSLMAABFZHCMJO-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone 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-(2-methyl-6-phenyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone (CID 900920) is 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone is CC(=O)c1ccc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone?
The InChIKey is ZSLMAABFZHCMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-13(11(2)16)8-9-14(15-10)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone?
1-(2-methyl-6-phenyl-3-pyridinyl)ethanone has a molecular weight of 211.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenyl-3-pyridinyl)ethanone is sourced from PubChem (CID 900920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).