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

C7H3Cl2F2NO2 — CID 130072794

IUPAC2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-5-4(7(10)11)2(6(9)14)1-3(13)12-5/h1,7H,(H,12,13)
InChIKeyASILDRWTYKJSIE-UHFFFAOYSA-N
MW242.01 g/mol
LogP2.34
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride (PubChem CID 130072794) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
PubChem CID130072794
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-5-4(7(10)11)2(6(9)14)1-3(13)12-5/h1,7H,(H,12,13)
InChIKeyASILDRWTYKJSIE-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 87455847
CID 87455847
CID 171782803
CID 171782803
CID 118810925
CID 118810925
CID 118822397
CID 118822397
CID 118824126
CID 118824126
CID 118826583
CID 118826583
CID 118837879
CID 118837879
CID 118849108
CID 118849108
CID 119004310
CID 119004310
CID 119017161
CID 119017161
CID 130072795
CID 130072795
CID 130072800
CID 130072800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride (CID 130072794) is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride is O=C(Cl)c1cc(=O)[nH]c(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The InChIKey is ASILDRWTYKJSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-5-4(7(10)11)2(6(9)14)1-3(13)12-5/h1,7H,(H,12,13).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-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 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride is sourced from PubChem (CID 130072794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).