2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C14H11F3N2O — CID 67518329

IUPAC2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-4-2-1-3-9(12)7-11-8-10(13(18)20)5-6-19-11/h1-6,8H,7H2,(H2,18,20)
InChIKeyYFACIRISWHFFBU-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.79
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 67518329) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID67518329
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-4-2-1-3-9(12)7-11-8-10(13(18)20)5-6-19-11/h1-6,8H,7H2,(H2,18,20)
InChIKeyYFACIRISWHFFBU-UHFFFAOYSA-N
XLogP2.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 67518329) is 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is NC(=O)c1ccnc(Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is YFACIRISWHFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-4-2-1-3-9(12)7-11-8-10(13(18)20)5-6-19-11/h1-6,8H,7H2,(H2,18,20).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67518329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).