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

C7H3ClF3N3 — CID 1483826

IUPAC8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nncn2c1
InChIInChI=1S/C7H3ClF3N3/c8-5-1-4(7(9,10)11)2-14-3-12-13-6(5)14/h1-3H
InChIKeyXVQOKOYHCGZDND-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.40
Rot. Bonds

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

8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 1483826) has the molecular formula C7H3ClF3N3 and a molecular weight of 221.57 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID1483826
Molecular FormulaC7H3ClF3N3
Molecular Weight221.57 g/mol
Exact Mass221.00
IUPAC Name8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nncn2c1
InChIInChI=1S/C7H3ClF3N3/c8-5-1-4(7(9,10)11)2-14-3-12-13-6(5)14/h1-3H
InChIKeyXVQOKOYHCGZDND-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 1483826) is 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cc(Cl)c2nncn2c1.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XVQOKOYHCGZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3/c8-5-1-4(7(9,10)11)2-14-3-12-13-6(5)14/h1-3H.
What are the key properties of 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 221.57 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 1483826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).