methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C14H10FN3O2 — CID 82567225

IUPACmethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-4-7-12-16-13(17-18(12)8-10)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyPIAQGWUQSBRXMV-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 82567225) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID82567225
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-4-7-12-16-13(17-18(12)8-10)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyPIAQGWUQSBRXMV-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 82567225) is methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)nn2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is PIAQGWUQSBRXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)10-4-7-12-16-13(17-18(12)8-10)9-2-5-11(15)6-3-9/h2-8H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-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-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 82567225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).