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

C14H10FN3O2 — CID 82567352

IUPACmethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)11-3-2-4-12-16-13(17-18(11)12)9-5-7-10(15)8-6-9/h2-8H,1H3
InChIKeyQSCVXZWJTYERDA-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.32
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 82567352) 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-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID82567352
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)11-3-2-4-12-16-13(17-18(11)12)9-5-7-10(15)8-6-9/h2-8H,1H3
InChIKeyQSCVXZWJTYERDA-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-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566921
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
2-(4-fluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117133134
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
methyl 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567386
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 68585795
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-5-carboxylate
CID 117133201
methyl 2-(4-fluorophenyl)-7-oxo-[1,2,4]triazolo[5,1-b][1,3]thiazine-5-carboxylate
CID 6426252
methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257664
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117131974

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 82567352) is methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is QSCVXZWJTYERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)11-3-2-4-12-16-13(17-18(11)12)9-5-7-10(15)8-6-9/h2-8H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-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-5-carboxylate is sourced from PubChem (CID 82567352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).