N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C13H8ClF3N2O — CID 668891

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1
InChIInChI=1S/C13H8ClF3N2O/c14-10-4-3-9(13(15,16)17)6-11(10)19-12(20)8-2-1-5-18-7-8/h1-7H,(H,19,20)
InChIKeyDEYUGUMOVBRVJE-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 668891) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID668891
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1
InChIInChI=1S/C13H8ClF3N2O/c14-10-4-3-9(13(15,16)17)6-11(10)19-12(20)8-2-1-5-18-7-8/h1-7H,(H,19,20)
InChIKeyDEYUGUMOVBRVJE-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 N-[2-chloro-5-(trifluoromethyl)phenyl]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 N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 668891) is N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is DEYUGUMOVBRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-4-3-9(13(15,16)17)6-11(10)19-12(20)8-2-1-5-18-7-8/h1-7H,(H,19,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-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 N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 668891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).