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

C13H8ClF3N2O2 — CID 7545682

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)13(15,16)17)19-12(21)7-1-4-11(20)18-6-7/h1-6H,(H,18,20)(H,19,21)
InChIKeyUJODGRIJLTYSBK-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.30
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 7545682) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID7545682
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)13(15,16)17)19-12(21)7-1-4-11(20)18-6-7/h1-6H,(H,18,20)(H,19,21)
InChIKeyUJODGRIJLTYSBK-UHFFFAOYSA-N
XLogP3.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 7545682) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UJODGRIJLTYSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)13(15,16)17)19-12(21)7-1-4-11(20)18-6-7/h1-6H,(H,18,20)(H,19,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 316.67 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 7545682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).