N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C13H9F3N2O2 — CID 738205

IUPACN-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-5-1-4-10(7-11)18-12(19)9-3-2-6-17-8-9/h1-8H,(H,18,19)
InChIKeyFGZJFCNFPCTCDZ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 738205) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID738205
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-5-1-4-10(7-11)18-12(19)9-3-2-6-17-8-9/h1-8H,(H,18,19)
InChIKeyFGZJFCNFPCTCDZ-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 738205) is N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cccnc1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is FGZJFCNFPCTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-5-1-4-10(7-11)18-12(19)9-3-2-6-17-8-9/h1-8H,(H,18,19).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-[3-(trifluoromethoxy)phenyl]pyridine-3-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-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 738205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).