6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C9H7ClF3N3 — CID 123972233

IUPAC6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cc(Cl)c(C)n2n1
InChIInChI=1S/C9H7ClF3N3/c1-4-7(10)3-6(9(11,12)13)8-14-5(2)15-16(4)8/h3H,1-2H3
InChIKeyITWARVBGRBXHDX-UHFFFAOYSA-N
MW249.62 g/mol
LogP3.02
Rot. Bonds

About 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 123972233) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID123972233
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cc(Cl)c(C)n2n1
InChIInChI=1S/C9H7ClF3N3/c1-4-7(10)3-6(9(11,12)13)8-14-5(2)15-16(4)8/h3H,1-2H3
InChIKeyITWARVBGRBXHDX-UHFFFAOYSA-N
XLogP3.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 123972233) is 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2c(C(F)(F)F)cc(Cl)c(C)n2n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ITWARVBGRBXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c1-4-7(10)3-6(9(11,12)13)8-14-5(2)15-16(4)8/h3H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 249.62 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 123972233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).