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

C7H4ClF2NO3 — CID 118804052

IUPAC6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)2-1-11-3(7(9)10)5(13)4(2)12/h1,7,13H,(H,11,12)
InChIKeyGNCGOGQSBHBEMI-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.40
Rot. Bonds2

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

6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118804052) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118804052
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)2-1-11-3(7(9)10)5(13)4(2)12/h1,7,13H,(H,11,12)
InChIKeyGNCGOGQSBHBEMI-UHFFFAOYSA-N
XLogP1.40
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.56
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-5-hydroxy-4-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 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118804052) is 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(C(F)F)c(O)c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is GNCGOGQSBHBEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-6(14)2-1-11-3(7(9)10)5(13)4(2)12/h1,7,13H,(H,11,12).
What are the key properties of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 223.56 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118804052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).