N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

C13H9F3N2O2 — CID 2711308

IUPACN-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-3-1-10(2-4-11)18-12(19)9-5-7-17-8-6-9/h1-8H,(H,18,19)
InChIKeyXNOXATIDKXASQR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.23
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 2711308) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
PubChem CID2711308
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-3-1-10(2-4-11)18-12(19)9-5-7-17-8-6-9/h1-8H,(H,18,19)
InChIKeyXNOXATIDKXASQR-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(trifluoromethoxy)phenyl]pyridine-4-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 N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (CID 2711308) is N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is XNOXATIDKXASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-3-1-10(2-4-11)18-12(19)9-5-7-17-8-6-9/h1-8H,(H,18,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 282.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 2711308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).