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

C7H3ClF3NO2 — CID 130079763

IUPAC3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6(14)5-4(7(10)11)2(13)1-3(9)12-5/h1,7H,(H,12,13)
InChIKeyNDRLJCUWMQZNKQ-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.83
Rot. Bonds2

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

3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130079763) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130079763
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(F)cc(=O)c1C(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6(14)5-4(7(10)11)2(13)1-3(9)12-5/h1,7H,(H,12,13)
InChIKeyNDRLJCUWMQZNKQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride (CID 130079763) is 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]c(F)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is NDRLJCUWMQZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-6(14)5-4(7(10)11)2(13)1-3(9)12-5/h1,7H,(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride?
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-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 3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130079763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).