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

C8H6ClF2NO2 — CID 118823727

IUPAC4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESCc1c(C(F)F)c(C(=O)Cl)c[nH]c1=O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(7(10)11)4(6(9)13)2-12-8(3)14/h2,7H,1H3,(H,12,14)
InChIKeyZEVWGQLDCAFZRV-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.00
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride

4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118823727) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118823727
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESCc1c(C(F)F)c(C(=O)Cl)c[nH]c1=O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(7(10)11)4(6(9)13)2-12-8(3)14/h2,7H,1H3,(H,12,14)
InChIKeyZEVWGQLDCAFZRV-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride (CID 118823727) is 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride is Cc1c(C(F)F)c(C(=O)Cl)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is ZEVWGQLDCAFZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-5(7(10)11)4(6(9)13)2-12-8(3)14/h2,7H,1H3,(H,12,14).
What are the key properties of 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride?
4-(difluoromethyl)-5-methyl-6-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 4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).