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

C7H3Cl2F2NO2 — CID 130072823

IUPAC3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(7(10)11)1-3(13)12-5(4)6(9)14/h1,7H,(H,12,13)
InChIKeyUHQMDQKXDIAHQA-UHFFFAOYSA-N
MW242.01 g/mol
LogP2.34
Rot. Bonds2

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

3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130072823) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130072823
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(7(10)11)1-3(13)12-5(4)6(9)14/h1,7H,(H,12,13)
InChIKeyUHQMDQKXDIAHQA-UHFFFAOYSA-N
XLogP2.34
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-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

4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (CID 130072823) is 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]c(=O)cc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is UHQMDQKXDIAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-4-2(7(10)11)1-3(13)12-5(4)6(9)14/h1,7H,(H,12,13).
What are the key properties of 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride has a molecular weight of 242.01 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130072823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).