4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one

C6H3ClF2INO — CID 118799967

IUPAC4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(Cl)c1I
InChIInChI=1S/C6H3ClF2INO/c7-3-2(5(8)9)1-11-6(12)4(3)10/h1,5H,(H,11,12)
InChIKeyASNQFOQWJQBMLZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one

4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one (PubChem CID 118799967) has the molecular formula C6H3ClF2INO and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
PubChem CID118799967
Molecular FormulaC6H3ClF2INO
Molecular Weight305.45 g/mol
Exact Mass304.89
IUPAC Name4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(Cl)c1I
InChIInChI=1S/C6H3ClF2INO/c7-3-2(5(8)9)1-11-6(12)4(3)10/h1,5H,(H,11,12)
InChIKeyASNQFOQWJQBMLZ-UHFFFAOYSA-N
XLogP2.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The IUPAC name of 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one (CID 118799967) is 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(Cl)c1I.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The InChIKey is ASNQFOQWJQBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2INO/c7-3-2(5(8)9)1-11-6(12)4(3)10/h1,5H,(H,11,12).
What are the key properties of 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one has a molecular weight of 305.45 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118799967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).