4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride

C7H3ClF2INO2 — CID 118835141

IUPAC4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(I)c1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-5(13)2-1-12-7(14)4(11)3(2)6(9)10/h1,6H,(H,12,14)
InChIKeyPBBRGRBYTARWAU-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.30
Rot. Bonds2

About 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride

4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118835141) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118835141
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(I)c1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-5(13)2-1-12-7(14)4(11)3(2)6(9)10/h1,6H,(H,12,14)
InChIKeyPBBRGRBYTARWAU-UHFFFAOYSA-N
XLogP2.30
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride 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-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride (CID 118835141) is 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(=O)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is PBBRGRBYTARWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-5(13)2-1-12-7(14)4(11)3(2)6(9)10/h1,6H,(H,12,14).
What are the key properties of 4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride?
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 333.46 g/mol, XLogP of 2.30, 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-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118835141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).