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

C8H3ClF5N3 — CID 1489122

IUPAC8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H3ClF5N3/c9-4-1-3(8(12,13)14)2-17-6(4)15-16-7(17)5(10)11/h1-2,5H
InChIKeyPLNGYKCXIDVVRW-UHFFFAOYSA-N
MW271.58 g/mol
LogP3.34
Rot. Bonds1

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

8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 1489122) has the molecular formula C8H3ClF5N3 and a molecular weight of 271.58 g/mol. Its IUPAC name is 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID1489122
Molecular FormulaC8H3ClF5N3
Molecular Weight271.58 g/mol
Exact Mass270.99
IUPAC Name8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H3ClF5N3/c9-4-1-3(8(12,13)14)2-17-6(4)15-16-7(17)5(10)11/h1-2,5H
InChIKeyPLNGYKCXIDVVRW-UHFFFAOYSA-N
XLogP3.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 1489122) is 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)c1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PLNGYKCXIDVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5N3/c9-4-1-3(8(12,13)14)2-17-6(4)15-16-7(17)5(10)11/h1-2,5H.
What are the key properties of 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 271.58 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 1489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).