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

C7H4ClF2NO2 — CID 130097234

IUPAC6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-5(12)3-1-2-4(6(9)10)11-7(3)13/h1-2,6H,(H,11,13)
InChIKeyJMTJSCZDVMDQKE-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.69
Rot. Bonds2

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

6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 130097234) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID130097234
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-5(12)3-1-2-4(6(9)10)11-7(3)13/h1-2,6H,(H,11,13)
InChIKeyJMTJSCZDVMDQKE-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-[Chloro(difluoro)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 22113414
6-(Difluoromethyl)-2-hydroxypyridine-3-carboxamide
CID 59828229
5-Chloro-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828234
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 77231446
2-Hydroxy-6-(trifluoromethyl)nicotinoyl chloride
CID 2775118
3-Chloromethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704061
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carbonyl chloride
CID 118814881
4-Chloro-6-(difluoromethyl)-2-hydroxy-3-methylpyridine
CID 118816428
2-(Difluoromethyl)-6-hydroxypyridine-4-carbonyl chloride
CID 118826594
4-Amino-6-(difluoromethyl)-2-hydroxynicotinoyl chloride
CID 118829139
2-(Difluoromethyl)-6-hydroxy-3-iodopyridine-5-carbonyl chloride
CID 118832238
4-Bromo-6-(difluoromethyl)-2-hydroxypyridine-3-carbonyl chloride
CID 118833122

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (CID 130097234) is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is JMTJSCZDVMDQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-5(12)3-1-2-4(6(9)10)11-7(3)13/h1-2,6H,(H,11,13).
What are the key properties of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
6-(difluoromethyl)-2-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 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 130097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).