2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride

C7H3ClF3NO2 — CID 118837879

IUPAC2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-5(13)2-1-3(9)7(14)12-4(2)6(10)11/h1,6H,(H,12,14)
InChIKeyMERCLLPXPNTCJS-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.83
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride

2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118837879) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118837879
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-5(13)2-1-3(9)7(14)12-4(2)6(10)11/h1,6H,(H,12,14)
InChIKeyMERCLLPXPNTCJS-UHFFFAOYSA-N
XLogP1.83
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride (CID 118837879) is 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1cc(F)c(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is MERCLLPXPNTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5(13)2-1-3(9)7(14)12-4(2)6(10)11/h1,6H,(H,12,14).
What are the key properties of 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 225.55 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118837879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).