6-(trifluoromethyl)pyridine-3-carboxamide

C7H5F3N2O — CID 2777545

IUPAC6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
InChIKeyRIKJKWNZUSPCCM-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.20
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-3-carboxamide

6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2777545) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2777545
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
InChIKeyRIKJKWNZUSPCCM-UHFFFAOYSA-N
XLogP1.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(trifluoromethyl)pyridine-3-carboxamide (CID 2777545) is 6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RIKJKWNZUSPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13).
What are the key properties of 6-(trifluoromethyl)pyridine-3-carboxamide?
6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 190.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2777545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).