2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine

C14H9F3N4 — CID 21032475

IUPAC2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)10-6-4-9(5-7-10)12-19-13(21-20-12)11-3-1-2-8-18-11/h1-8H,(H,19,20,21)
InChIKeyYLWGSQJBIHADSC-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.55
Rot. Bonds2

About 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine

2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 21032475) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID21032475
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)10-6-4-9(5-7-10)12-19-13(21-20-12)11-3-1-2-8-18-11/h1-8H,(H,19,20,21)
InChIKeyYLWGSQJBIHADSC-UHFFFAOYSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine (CID 21032475) is 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine is FC(F)(F)c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is YLWGSQJBIHADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)10-6-4-9(5-7-10)12-19-13(21-20-12)11-3-1-2-8-18-11/h1-8H,(H,19,20,21).
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine?
2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 290.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 21032475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).