4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one

C7H6F2INO2 — CID 118801494

IUPAC4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C7H6F2INO2/c1-13-7-5(10)3(6(8)9)2-4(12)11-7/h2,6H,1H3,(H,11,12)
InChIKeyLXHPGANWKOKOQW-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.93
Rot. Bonds2

About 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one

4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one (PubChem CID 118801494) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one
PubChem CID118801494
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C7H6F2INO2/c1-13-7-5(10)3(6(8)9)2-4(12)11-7/h2,6H,1H3,(H,11,12)
InChIKeyLXHPGANWKOKOQW-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-5-iodo-6-methoxy-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-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one (CID 118801494) is 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one is COc1[nH]c(=O)cc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one?
The InChIKey is LXHPGANWKOKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c1-13-7-5(10)3(6(8)9)2-4(12)11-7/h2,6H,1H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one has a molecular weight of 301.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodo-6-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118801494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).