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

C7H3Cl2F2NO2 — CID 130072819

IUPAC5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-3(6(10)11)2(5(9)13)1-12-7(4)14/h1,6H,(H,12,14)
InChIKeyFNPKHFKZQKASEW-UHFFFAOYSA-N
MW242.01 g/mol
LogP2.34
Rot. Bonds2

About 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride

5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 130072819) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID130072819
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-3(6(10)11)2(5(9)13)1-12-7(4)14/h1,6H,(H,12,14)
InChIKeyFNPKHFKZQKASEW-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'}

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Related Compounds

3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (CID 130072819) is 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(=O)c(Cl)c1C(F)F.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is FNPKHFKZQKASEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-4-3(6(10)11)2(5(9)13)1-12-7(4)14/h1,6H,(H,12,14).
What are the key properties of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-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 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 130072819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).