6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one

C13H13ClN2O — CID 87948906

IUPAC6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one
SMILESCN(Cc1ccc(Cl)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c1-16(11-5-3-2-4-6-11)9-10-7-8-12(14)15-13(10)17/h2-8H,9H2,1H3,(H,15,17)
InChIKeyCJFCWLZXGSNRHZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.66
Rot. Bonds3

About 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one

6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one (PubChem CID 87948906) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one
PubChem CID87948906
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one
SMILESCN(Cc1ccc(Cl)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c1-16(11-5-3-2-4-6-11)9-10-7-8-12(14)15-13(10)17/h2-8H,9H2,1H3,(H,15,17)
InChIKeyCJFCWLZXGSNRHZ-UHFFFAOYSA-N
XLogP2.66
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one 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 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one (CID 87948906) is 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one is CN(Cc1ccc(Cl)[nH]c1=O)c1ccccc1.
What is the InChIKey of 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one?
The InChIKey is CJFCWLZXGSNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-16(11-5-3-2-4-6-11)9-10-7-8-12(14)15-13(10)17/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one?
6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one has a molecular weight of 248.71 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 87948906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).