6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride

C8H6ClF2NO2 — CID 118814881

IUPAC6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(6(9)13)8(14)12-5(3)7(10)11/h2,7H,1H3,(H,12,14)
InChIKeyHGHWRGKIMVQOKG-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.00
Rot. Bonds2

About 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride

6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118814881) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118814881
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(6(9)13)8(14)12-5(3)7(10)11/h2,7H,1H3,(H,12,14)
InChIKeyHGHWRGKIMVQOKG-UHFFFAOYSA-N
XLogP2.00
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.00
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-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118837824
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 130110697
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
CID 130100251
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride (CID 118814881) is 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride is Cc1cc(C(=O)Cl)c(=O)[nH]c1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is HGHWRGKIMVQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-2-4(6(9)13)8(14)12-5(3)7(10)11/h2,7H,1H3,(H,12,14).
What are the key properties of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride?
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 221.59 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118814881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).