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

C14H9ClF3N3O — CID 155932726

IUPAC6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(Cl)cn3c(C(F)(F)F)nnc23)cc1
InChIInChI=1S/C14H9ClF3N3O/c1-22-10-4-2-8(3-5-10)11-6-9(15)7-21-12(11)19-20-13(21)14(16,17)18/h2-7H,1H3
InChIKeyLIVNWCQGZJSYIM-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.08
Rot. Bonds2

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

6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155932726) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155932726
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(Cl)cn3c(C(F)(F)F)nnc23)cc1
InChIInChI=1S/C14H9ClF3N3O/c1-22-10-4-2-8(3-5-10)11-6-9(15)7-21-12(11)19-20-13(21)14(16,17)18/h2-7H,1H3
InChIKeyLIVNWCQGZJSYIM-UHFFFAOYSA-N
XLogP4.08
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 155932726) is 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2cc(Cl)cn3c(C(F)(F)F)nnc23)cc1.
What is the InChIKey of 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LIVNWCQGZJSYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c1-22-10-4-2-8(3-5-10)11-6-9(15)7-21-12(11)19-20-13(21)14(16,17)18/h2-7H,1H3.
What are the key properties of 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 327.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-methoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155932726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).