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

C8H5ClF3NO2 — CID 77231446

IUPAC4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO2/c1-3-2-4(8(10,11)12)13-7(15)5(3)6(9)14/h2H,1H3,(H,13,15)
InChIKeyJAIJYEBYVFZJAU-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.08
Rot. Bonds1

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

4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (PubChem CID 77231446) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
PubChem CID77231446
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO2/c1-3-2-4(8(10,11)12)13-7(15)5(3)6(9)14/h2H,1H3,(H,13,15)
InChIKeyJAIJYEBYVFZJAU-UHFFFAOYSA-N
XLogP2.08
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.08
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-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (CID 77231446) is 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Cl.
What is the InChIKey of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The InChIKey is JAIJYEBYVFZJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-3-2-4(8(10,11)12)13-7(15)5(3)6(9)14/h2H,1H3,(H,13,15).
What are the key properties of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride has a molecular weight of 239.58 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 77231446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).