methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C14H8F3N3O2 — CID 82566999

IUPACmethyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C14H8F3N3O2/c1-22-14(21)8-3-2-6-20-13(8)18-12(19-20)7-4-5-9(15)11(17)10(7)16/h2-6H,1H3
InChIKeyCKWOOXIZXXZZTA-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82566999) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82566999
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Namemethyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C14H8F3N3O2/c1-22-14(21)8-3-2-6-20-13(8)18-12(19-20)7-4-5-9(15)11(17)10(7)16/h2-6H,1H3
InChIKeyCKWOOXIZXXZZTA-UHFFFAOYSA-N
XLogP2.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82567017
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566584
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
CID 143902918
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
methyl 4-amino-2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carboxylate
CID 107541127
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82566999) is methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2nc(-c3ccc(F)c(F)c3F)nc12.
What is the InChIKey of methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is CKWOOXIZXXZZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c1-22-14(21)8-3-2-6-20-13(8)18-12(19-20)7-4-5-9(15)11(17)10(7)16/h2-6H,1H3.
What are the key properties of methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 307.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82566999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).