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

C13H9F3N2O — CID 2306530

IUPACN-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
InChIKeyQJUCVRVRFWBVTF-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.35
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 2306530) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID2306530
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
InChIKeyQJUCVRVRFWBVTF-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 2306530) is N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QJUCVRVRFWBVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 2306530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).