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

C8H6ClF2NO2 — CID 130084060

IUPAC5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(=O)Cl
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)8(14)12-5(3)6(9)13/h2,7H,1H3,(H,12,14)
InChIKeyWCNVLTIQEWYXHN-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.00
Rot. Bonds2

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

5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130084060) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130084060
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(=O)Cl
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)8(14)12-5(3)6(9)13/h2,7H,1H3,(H,12,14)
InChIKeyWCNVLTIQEWYXHN-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

3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 130083953
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
CID 130084067
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
1-[5-(difluoromethyl)-3-methyl-1H-pyrrol-2-yl]ethanone
CID 84654571

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride (CID 130084060) is 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride is Cc1cc(C(F)F)c(=O)[nH]c1C(=O)Cl.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is WCNVLTIQEWYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-2-4(7(10)11)8(14)12-5(3)6(9)13/h2,7H,1H3,(H,12,14).
What are the key properties of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride?
5-(difluoromethyl)-3-methyl-6-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 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130084060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).