6-chloro-5-ethyl-1H-pyridin-2-one

C7H8ClNO — CID 163258205

IUPAC6-chloro-5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H8ClNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHBNRMJYVFWBBQY-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.59
Rot. Bonds1

About 6-chloro-5-ethyl-1H-pyridin-2-one

6-chloro-5-ethyl-1H-pyridin-2-one (PubChem CID 163258205) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 6-chloro-5-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-ethyl-1H-pyridin-2-one
PubChem CID163258205
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name6-chloro-5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H8ClNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHBNRMJYVFWBBQY-UHFFFAOYSA-N
XLogP1.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-5-ethyl-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-5-ethyl-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-ethyl-1H-pyridin-2-one (CID 163258205) is 6-chloro-5-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-ethyl-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-ethyl-1H-pyridin-2-one is CCc1ccc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-ethyl-1H-pyridin-2-one?
The InChIKey is HBNRMJYVFWBBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 6-chloro-5-ethyl-1H-pyridin-2-one?
6-chloro-5-ethyl-1H-pyridin-2-one has a molecular weight of 157.60 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 163258205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).