2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

C14H10ClF3N2O2 — CID 154840238

IUPAC2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)[nH]c(=O)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-7-2-9(14(16,17)18)6-10(3-7)19-13(22)8-4-11(15)20-12(21)5-8/h2-6H,1H3,(H,19,22)(H,20,21)
InChIKeyJOHXUTZPHVWDJA-UHFFFAOYSA-N
MW330.69 g/mol
LogP3.61
Rot. Bonds2

About 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 154840238) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID154840238
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)[nH]c(=O)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-7-2-9(14(16,17)18)6-10(3-7)19-13(22)8-4-11(15)20-12(21)5-8/h2-6H,1H3,(H,19,22)(H,20,21)
InChIKeyJOHXUTZPHVWDJA-UHFFFAOYSA-N
XLogP3.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
3-bromo-5-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107951405
4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 136535933
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804203
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187
2-chloro-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 154838309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (CID 154840238) is 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(Cl)[nH]c(=O)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is JOHXUTZPHVWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c1-7-2-9(14(16,17)18)6-10(3-7)19-13(22)8-4-11(15)20-12(21)5-8/h2-6H,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 154840238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).