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

C14H10FN3O2 — CID 82566978

IUPACmethyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)11-6-3-7-18-13(11)16-12(17-18)9-4-2-5-10(15)8-9/h2-8H,1H3
InChIKeyNVTMLRBZTHHATK-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.32
Rot. Bonds2

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

methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82566978) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82566978
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)11-6-3-7-18-13(11)16-12(17-18)9-4-2-5-10(15)8-9/h2-8H,1H3
InChIKeyNVTMLRBZTHHATK-UHFFFAOYSA-N
XLogP2.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566999
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137585
methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82567017
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173339636
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127903
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82566978) is methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2nc(-c3cccc(F)c3)nc12.
What is the InChIKey of methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is NVTMLRBZTHHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)11-6-3-7-18-13(11)16-12(17-18)9-4-2-5-10(15)8-9/h2-8H,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 271.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82566978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).