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

C13H8ClF3N2O — CID 882134

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C13H8ClF3N2O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20)
InChIKeyOCWMCLZVPLFFEU-UHFFFAOYSA-N
MW300.67 g/mol
LogP4.01
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 882134) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID882134
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C13H8ClF3N2O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20)
InChIKeyOCWMCLZVPLFFEU-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 882134) is N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is OCWMCLZVPLFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-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-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 882134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).