4-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C13H9F3N2O — CID 175895572

IUPAC4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-5-10(6-18-7-11)8-1-3-9(4-2-8)12(17)19/h1-7H,(H2,17,19)
InChIKeyAGOBFMQGVPFXPK-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.87
Rot. Bonds2

About 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 175895572) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID175895572
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-5-10(6-18-7-11)8-1-3-9(4-2-8)12(17)19/h1-7H,(H2,17,19)
InChIKeyAGOBFMQGVPFXPK-UHFFFAOYSA-N
XLogP2.87
TPSA55.98 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 175895567
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 157497346
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
5-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 170579428
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
CID 28846992
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
CID 68761400
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 175895572) is 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is AGOBFMQGVPFXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)11-5-10(6-18-7-11)8-1-3-9(4-2-8)12(17)19/h1-7H,(H2,17,19).
What are the key properties of 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 266.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 175895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).