[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate

C15H10F3N3O3 — CID 123196877

IUPAC[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
SMILESCC(=O)Oc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c1-9(22)23-14-20-19-13-7-4-11(8-21(13)14)10-2-5-12(6-3-10)24-15(16,17)18/h2-8H,1H3
InChIKeyLKPMGOROJIWBSI-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.22
Rot. Bonds3

About [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate

[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate (PubChem CID 123196877) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate.

Molecular Properties

Compound Name[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
PubChem CID123196877
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
SMILESCC(=O)Oc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c1-9(22)23-14-20-19-13-7-4-11(8-21(13)14)10-2-5-12(6-3-10)24-15(16,17)18/h2-8H,1H3
InChIKeyLKPMGOROJIWBSI-UHFFFAOYSA-N
XLogP3.22
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 66849944
2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66849645
1,1-difluoro-2-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 50908538
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
N-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]benzamide
CID 66849289
1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine
CID 151769224
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
1-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethoxy]-2-methylpropan-2-ol;ethyl 2-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethoxy]acetate
CID 157183112
3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849454
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
CID 58118934
2-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56595795
2-pyridin-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56596081

Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate?
The IUPAC name of [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate (CID 123196877) is [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate.
What is the SMILES notation for [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate?
The canonical SMILES for [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate is CC(=O)Oc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate?
The InChIKey is LKPMGOROJIWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c1-9(22)23-14-20-19-13-7-4-11(8-21(13)14)10-2-5-12(6-3-10)24-15(16,17)18/h2-8H,1H3.
What are the key properties of [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate?
[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate has a molecular weight of 337.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate is sourced from PubChem (CID 123196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).