methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

C15H10F3N3O3 — CID 66849944

IUPACmethyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCOC(=O)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c1-23-14(22)13-20-19-12-7-4-10(8-21(12)13)9-2-5-11(6-3-9)24-15(16,17)18/h2-8H,1H3
InChIKeyPOVODOOKWTYXRX-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.08
Rot. Bonds3

About methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (PubChem CID 66849944) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
PubChem CID66849944
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Namemethyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCOC(=O)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c1-23-14(22)13-20-19-12-7-4-10(8-21(12)13)9-2-5-11(6-3-9)24-15(16,17)18/h2-8H,1H3
InChIKeyPOVODOOKWTYXRX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate with MolForge

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Related Compounds

[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
CID 123196877
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
N-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]benzamide
CID 66849289
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 76849593
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
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine
CID 151769224

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (CID 66849944) is methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is COC(=O)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The InChIKey is POVODOOKWTYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c1-23-14(22)13-20-19-12-7-4-10(8-21(12)13)9-2-5-11(6-3-9)24-15(16,17)18/h2-8H,1H3.
What are the key properties of methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate has a molecular weight of 337.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is sourced from PubChem (CID 66849944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).