4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride

C7H4ClF2NO3 — CID 118812499

IUPAC4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)cc(C(F)F)c1O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)4-5(13)2(7(9)10)1-3(12)11-4/h1,7,13H,(H,11,12)
InChIKeyMUEBJWMOJHGHKF-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.40
Rot. Bonds2

About 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride

4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 118812499) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID118812499
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)cc(C(F)F)c1O
InChIInChI=1S/C7H4ClF2NO3/c8-6(14)4-5(13)2(7(9)10)1-3(12)11-4/h1,7,13H,(H,11,12)
InChIKeyMUEBJWMOJHGHKF-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 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride (CID 118812499) is 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]c(=O)cc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is MUEBJWMOJHGHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-6(14)4-5(13)2(7(9)10)1-3(12)11-4/h1,7,13H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride?
4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-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 4-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 118812499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).