5-chloro-3-iodo-1H-pyridin-2-one

C5H3ClINO — CID 19597644

IUPAC5-chloro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1I
InChIInChI=1S/C5H3ClINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyDKIIUJUXHIPYFQ-UHFFFAOYSA-N
MW255.44 g/mol
LogP1.63
Rot. Bonds

About 5-chloro-3-iodo-1H-pyridin-2-one

5-chloro-3-iodo-1H-pyridin-2-one (PubChem CID 19597644) has the molecular formula C5H3ClINO and a molecular weight of 255.44 g/mol. Its IUPAC name is 5-chloro-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-iodo-1H-pyridin-2-one
PubChem CID19597644
Molecular FormulaC5H3ClINO
Molecular Weight255.44 g/mol
Exact Mass254.89
IUPAC Name5-chloro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1I
InChIInChI=1S/C5H3ClINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyDKIIUJUXHIPYFQ-UHFFFAOYSA-N
XLogP1.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-3-iodo-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 5-chloro-3-iodo-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-iodo-1H-pyridin-2-one (CID 19597644) is 5-chloro-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-iodo-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1I.
What is the InChIKey of 5-chloro-3-iodo-1H-pyridin-2-one?
The InChIKey is DKIIUJUXHIPYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9).
What are the key properties of 5-chloro-3-iodo-1H-pyridin-2-one?
5-chloro-3-iodo-1H-pyridin-2-one has a molecular weight of 255.44 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 19597644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).