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

C8H6ClF2NO2 — CID 130084067

IUPAC3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1cc(=O)c(C(F)F)c(C(=O)Cl)[nH]1
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(13)5(8(10)11)6(12-3)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyIHTANZZOTCDVIK-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.00
Rot. Bonds2

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

3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130084067) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130084067
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESCc1cc(=O)c(C(F)F)c(C(=O)Cl)[nH]1
InChIInChI=1S/C8H6ClF2NO2/c1-3-2-4(13)5(8(10)11)6(12-3)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyIHTANZZOTCDVIK-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-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130083739
2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118832264
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289
4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 133103413

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride (CID 130084067) is 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride is Cc1cc(=O)c(C(F)F)c(C(=O)Cl)[nH]1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is IHTANZZOTCDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-2-4(13)5(8(10)11)6(12-3)7(9)14/h2,8H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride?
3-(difluoromethyl)-6-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 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130084067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).