5-chloro-3-methylidenepyridin-2-one

C6H4ClNO — CID 72729941

IUPAC5-chloro-3-methylidenepyridin-2-one
SMILESC=C1C=C(Cl)C=NC1=O
InChIInChI=1S/C6H4ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyNWJKQDKNUIJZIF-UHFFFAOYSA-N
MW141.56 g/mol
LogP1.28
Rot. Bonds

About 5-chloro-3-methylidenepyridin-2-one

5-chloro-3-methylidenepyridin-2-one (PubChem CID 72729941) has the molecular formula C6H4ClNO and a molecular weight of 141.56 g/mol. Its IUPAC name is 5-chloro-3-methylidenepyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-methylidenepyridin-2-one
PubChem CID72729941
Molecular FormulaC6H4ClNO
Molecular Weight141.56 g/mol
Exact Mass141.00
IUPAC Name5-chloro-3-methylidenepyridin-2-one
SMILESC=C1C=C(Cl)C=NC1=O
InChIInChI=1S/C6H4ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyNWJKQDKNUIJZIF-UHFFFAOYSA-N
XLogP1.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-chloro-3-methylidenepyridin-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

Related Compounds

5-Fluoro-3-methylidenepyridin-2-one
CID 72664331
3-Methylidenepyridin-2-one
CID 18522756
3-Methyl-5-methylidenepyridin-2-one
CID 57823656
5-Methylidenepyridin-2-one
CID 74059266
3-Ethylidenepyridin-2-one
CID 76827562
5-chloro-3H-pyridin-2-one
CID 91257746
5-Chloro-3-(oxomethylidene)pyridin-2-one
CID 73877663
6-Chloro-3-methylidenepyridin-2-one
CID 76808848
5-Methyl-3-(oxomethylidene)pyridin-2-one
CID 76845503
5-Bromo-3-methylidenepyridin-2-one
CID 77759531
3-Ethenylidenepyridin-2-one
CID 77788373
5-Iodo-3-methylidenepyridin-2-one
CID 78291384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylidenepyridin-2-one?
The IUPAC name of 5-chloro-3-methylidenepyridin-2-one (CID 72729941) is 5-chloro-3-methylidenepyridin-2-one.
What is the SMILES notation for 5-chloro-3-methylidenepyridin-2-one?
The canonical SMILES for 5-chloro-3-methylidenepyridin-2-one is C=C1C=C(Cl)C=NC1=O.
What is the InChIKey of 5-chloro-3-methylidenepyridin-2-one?
The InChIKey is NWJKQDKNUIJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2.
What are the key properties of 5-chloro-3-methylidenepyridin-2-one?
5-chloro-3-methylidenepyridin-2-one has a molecular weight of 141.56 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylidenepyridin-2-one is sourced from PubChem (CID 72729941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).