8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H6ClF3N4 — CID 1486470

IUPAC8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(-c3ccccn3)n2c1
InChIInChI=1S/C12H6ClF3N4/c13-8-5-7(12(14,15)16)6-20-10(8)18-19-11(20)9-3-1-2-4-17-9/h1-6H
InChIKeyFONZEWQHZWFKOM-UHFFFAOYSA-N
MW298.66 g/mol
LogP3.46
Rot. Bonds1

About 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 1486470) has the molecular formula C12H6ClF3N4 and a molecular weight of 298.66 g/mol. Its IUPAC name is 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID1486470
Molecular FormulaC12H6ClF3N4
Molecular Weight298.66 g/mol
Exact Mass298.02
IUPAC Name8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(-c3ccccn3)n2c1
InChIInChI=1S/C12H6ClF3N4/c13-8-5-7(12(14,15)16)6-20-10(8)18-19-11(20)9-3-1-2-4-17-9/h1-6H
InChIKeyFONZEWQHZWFKOM-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 1486470) is 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cc(Cl)c2nnc(-c3ccccn3)n2c1.
What is the InChIKey of 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FONZEWQHZWFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4/c13-8-5-7(12(14,15)16)6-20-10(8)18-19-11(20)9-3-1-2-4-17-9/h1-6H.
What are the key properties of 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 298.66 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-pyridin-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 1486470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).