2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C13H8F3N5 — CID 101458152

IUPAC2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2cccc(-c3ccccn3)n2)n[nH]1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)12-19-11(20-21-12)10-6-3-5-9(18-10)8-4-1-2-7-17-8/h1-7H,(H,19,20,21)
InChIKeyOXWWKWWXEPNGRU-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.95
Rot. Bonds2

About 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 101458152) has the molecular formula C13H8F3N5 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID101458152
Molecular FormulaC13H8F3N5
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2cccc(-c3ccccn3)n2)n[nH]1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)12-19-11(20-21-12)10-6-3-5-9(18-10)8-4-1-2-7-17-8/h1-7H,(H,19,20,21)
InChIKeyOXWWKWWXEPNGRU-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-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 101458152) is 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is FC(F)(F)c1nc(-c2cccc(-c3ccccn3)n2)n[nH]1.
What is the InChIKey of 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is OXWWKWWXEPNGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5/c14-13(15,16)12-19-11(20-21-12)10-6-3-5-9(18-10)8-4-1-2-7-17-8/h1-7H,(H,19,20,21).
What are the key properties of 2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]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-pyridin-2-yl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 101458152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).