3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H8ClF3N2O — CID 118113315

IUPAC3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ncccc1Cl
InChIInChI=1S/C13H8ClF3N2O/c14-10-2-1-7-18-11(10)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-7H,(H,19,20)
InChIKeyMZEMUWPFYLTAPT-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 118113315) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID118113315
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ncccc1Cl
InChIInChI=1S/C13H8ClF3N2O/c14-10-2-1-7-18-11(10)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-7H,(H,19,20)
InChIKeyMZEMUWPFYLTAPT-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118216736
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
CID 71250988
5-bromo-2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10481464
3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
CID 175833498
[4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridinyl] acetate
CID 20636750
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine
CID 141429502
4-(3-chloro-2-pyridinyl)-4-fluoro-6-methyl-N-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 42597431
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 118113315) is 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is MZEMUWPFYLTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-2-1-7-18-11(10)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-7H,(H,19,20).
What are the key properties of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 300.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118113315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).