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

C7H4ClF2NO3 — CID 118843452

IUPAC2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)3-4(7(9)10)11-1-2(12)5(3)13/h1,7,12H,(H,11,13)
InChIKeyRYVXNSYLKGAVKC-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.40
Rot. Bonds2

About 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride

2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118843452) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118843452
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)3-4(7(9)10)11-1-2(12)5(3)13/h1,7,12H,(H,11,13)
InChIKeyRYVXNSYLKGAVKC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118843452) is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)[nH]cc(O)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is RYVXNSYLKGAVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-6(14)3-4(7(9)10)11-1-2(12)5(3)13/h1,7,12H,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride?
2-(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 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118843452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).