1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone

C14H13ClN2O — CID 1204342

IUPAC1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone
SMILES[H]/N=c1\cc(C)ccn1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-6-7-17(14(16)8-10)9-13(18)11-2-4-12(15)5-3-11/h2-8,16H,9H2,1H3/b16-14+
InChIKeyDBYWDMJLOAWPKF-JQIJEIRASA-N
MW260.72 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone

1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone (PubChem CID 1204342) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone
PubChem CID1204342
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone
SMILES[H]/N=c1\cc(C)ccn1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-6-7-17(14(16)8-10)9-13(18)11-2-4-12(15)5-3-11/h2-8,16H,9H2,1H3/b16-14+
InChIKeyDBYWDMJLOAWPKF-JQIJEIRASA-N
XLogP2.81
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-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-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone (CID 1204342) is 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone is [H]/N=c1\cc(C)ccn1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone?
The InChIKey is DBYWDMJLOAWPKF-JQIJEIRASA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-6-7-17(14(16)8-10)9-13(18)11-2-4-12(15)5-3-11/h2-8,16H,9H2,1H3/b16-14+.
What are the key properties of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone?
1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone has a molecular weight of 260.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1-pyridinyl)ethanone is sourced from PubChem (CID 1204342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).