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

C8H6ClF2NO2 — CID 130084051

IUPAC6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1c(C(=O)Cl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(13)2-4(8(10)11)12-6(3)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyPOSTUVIGXUAJHI-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.00
Rot. Bonds2

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

6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130084051) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130084051
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1c(C(=O)Cl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(13)2-4(8(10)11)12-6(3)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyPOSTUVIGXUAJHI-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

5-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
CID 118799305
4-Hydroxy-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118799320
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814604
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-6-carbonyl chloride
CID 118815287
2-(Chloromethyl)-6-(difluoromethyl)-4-hydroxy-3-methylpyridine
CID 118815684
2-(Difluoromethyl)-4-hydroxy-6-methylpyridine-3-carbonyl chloride
CID 118826582
2-(Difluoromethyl)-4-hydroxypyridine-6-carbonyl chloride
CID 118837871
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxy-6-methylpyridine
CID 118838125
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-6-carbonyl chloride
CID 118843484
2-Chloro-3-(difluoromethyl)-6-methylpyridin-4-ol
CID 118995429
2-Chloro-6-(difluoromethyl)-3-methylpyridin-4-ol
CID 119018249
6-chloro-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130072311

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride (CID 130084051) is 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride is Cc1c(C(=O)Cl)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is POSTUVIGXUAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-5(13)2-4(8(10)11)12-6(3)7(9)14/h2,8H,1H3,(H,12,13).
What are the key properties of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-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)-3-methyl-4-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130084051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).