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

C7H4ClF2NO2 — CID 118837824

IUPAC2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-6(13)3-1-2-4(12)11-5(3)7(9)10/h1-2,7H,(H,11,12)
InChIKeyJJHZCKKLOJWUBF-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.69
Rot. Bonds2

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

2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118837824) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118837824
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-6(13)3-1-2-4(12)11-5(3)7(9)10/h1-2,7H,(H,11,12)
InChIKeyJJHZCKKLOJWUBF-UHFFFAOYSA-N
XLogP1.69
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130096189
6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 118825976
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid
CID 67406140
2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
CID 130100251

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (CID 118837824) is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is JJHZCKKLOJWUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-6(13)3-1-2-4(12)11-5(3)7(9)10/h1-2,7H,(H,11,12).
What are the key properties of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 207.56 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118837824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).