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

C7H4ClF2NO2 — CID 118812238

IUPAC4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H4ClF2NO2/c8-6(13)4-1-3(7(9)10)2-5(12)11-4/h1-2,7H,(H,11,12)
InChIKeyBZHWTVKUZNBZMS-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.69
Rot. Bonds2

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

4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 118812238) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID118812238
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H4ClF2NO2/c8-6(13)4-1-3(7(9)10)2-5(12)11-4/h1-2,7H,(H,11,12)
InChIKeyBZHWTVKUZNBZMS-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'}

Analyze 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one
CID 10081320
4-(Difluoromethyl)-6-hydroxy-3-iodopicolinoyl chloride
CID 118801322
2-(Chloromethyl)-4-(difluoromethyl)-3-fluoro-6-hydroxypyridine
CID 118809859
4-(Difluoromethyl)-6-hydroxypicolinamide
CID 118811925
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinoyl chloride
CID 118812006
4-(Difluoromethyl)-3,6-dihydroxypicolinoyl chloride
CID 118812499
4-Amino-3-(difluoromethyl)-6-hydroxypicolinoyl chloride
CID 118822848
4-(Difluoromethyl)-5-fluoro-6-hydroxypicolinoyl chloride
CID 118823578
2-(Difluoromethyl)-6-hydroxypyridine-4-carbonyl chloride
CID 118826594
4-Amino-5-(difluoromethyl)-6-hydroxypicolinoyl chloride
CID 118834586
2-(Difluoromethyl)-6-hydroxypyridine-3-carbonyl chloride
CID 118837824
2-(Difluoromethyl)-5-fluoro-6-hydroxypyridine-3-carbonyl chloride
CID 118837879

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (CID 118812238) is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1cc(C(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is BZHWTVKUZNBZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-6(13)4-1-3(7(9)10)2-5(12)11-4/h1-2,7H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
4-(difluoromethyl)-6-oxo-1H-pyridine-2-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 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 118812238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).