4-chloro-1H-pyridin-2-one

C5H4ClNO — CID 2757611

IUPAC4-chloro-1H-pyridin-2-one
SMILESO=c1cc(Cl)cc[nH]1
InChIInChI=1S/C5H4ClNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyOZUXGFRLSKQVMI-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.03
Rot. Bonds

About 4-chloro-1H-pyridin-2-one

4-chloro-1H-pyridin-2-one (PubChem CID 2757611) has the molecular formula C5H4ClNO and a molecular weight of 129.55 g/mol. Its IUPAC name is 4-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1H-pyridin-2-one
PubChem CID2757611
Molecular FormulaC5H4ClNO
Molecular Weight129.55 g/mol
Exact Mass129.00
IUPAC Name4-chloro-1H-pyridin-2-one
SMILESO=c1cc(Cl)cc[nH]1
InChIInChI=1S/C5H4ClNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyOZUXGFRLSKQVMI-UHFFFAOYSA-N
XLogP1.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-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 4-chloro-1H-pyridin-2-one?
The IUPAC name of 4-chloro-1H-pyridin-2-one (CID 2757611) is 4-chloro-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-1H-pyridin-2-one is O=c1cc(Cl)cc[nH]1.
What is the InChIKey of 4-chloro-1H-pyridin-2-one?
The InChIKey is OZUXGFRLSKQVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8).
What are the key properties of 4-chloro-1H-pyridin-2-one?
4-chloro-1H-pyridin-2-one has a molecular weight of 129.55 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyridin-2-one is sourced from PubChem (CID 2757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).