2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine

C13H8F3N5 — CID 68547291

IUPAC2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)8-4-6-18-10(7-8)12-19-11(20-21-12)9-3-1-2-5-17-9/h1-7H,(H,19,20,21)
InChIKeyLIWWRSCRKANHMC-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.95
Rot. Bonds2

About 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine

2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine (PubChem CID 68547291) has the molecular formula C13H8F3N5 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine
PubChem CID68547291
Molecular FormulaC13H8F3N5
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)8-4-6-18-10(7-8)12-19-11(20-21-12)9-3-1-2-5-17-9/h1-7H,(H,19,20,21)
InChIKeyLIWWRSCRKANHMC-UHFFFAOYSA-N
XLogP2.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine (CID 68547291) is 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(-c2n[nH]c(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is LIWWRSCRKANHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5/c14-13(15,16)8-4-6-18-10(7-8)12-19-11(20-21-12)9-3-1-2-5-17-9/h1-7H,(H,19,20,21).
What are the key properties of 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine?
2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 291.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 68547291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).