1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C14H10ClF3N2O2 — CID 3849988

IUPAC1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H10ClF3N2O2/c15-9-3-1-2-8(6-9)7-20-11(14(16,17)18)5-4-10(12(19)21)13(20)22/h1-6H,7H2,(H2,19,21)
InChIKeyYUNVCEBUWGYADX-UHFFFAOYSA-N
MW330.69 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 3849988) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID3849988
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C14H10ClF3N2O2/c15-9-3-1-2-8(6-9)7-20-11(14(16,17)18)5-4-10(12(19)21)13(20)22/h1-6H,7H2,(H2,19,21)
InChIKeyYUNVCEBUWGYADX-UHFFFAOYSA-N
XLogP2.67
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 3849988) is 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YUNVCEBUWGYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c15-9-3-1-2-8(6-9)7-20-11(14(16,17)18)5-4-10(12(19)21)13(20)22/h1-6H,7H2,(H2,19,21).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3849988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).