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

C20H13BrFN3O2 — CID 82565525

IUPACmethyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(Br)c2)n2nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H13BrFN3O2/c1-27-20(26)16-9-10-17(13-3-2-4-14(21)11-13)25-19(16)23-18(24-25)12-5-7-15(22)8-6-12/h2-11H,1H3
InChIKeyUVZYUKYMCHYRHM-UHFFFAOYSA-N
MW426.25 g/mol
LogP4.75
Rot. Bonds3

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

methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82565525) has the molecular formula C20H13BrFN3O2 and a molecular weight of 426.25 g/mol. Its IUPAC name is methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82565525
Molecular FormulaC20H13BrFN3O2
Molecular Weight426.25 g/mol
Exact Mass425.02
IUPAC Namemethyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(Br)c2)n2nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H13BrFN3O2/c1-27-20(26)16-9-10-17(13-3-2-4-14(21)11-13)25-19(16)23-18(24-25)12-5-7-15(22)8-6-12/h2-11H,1H3
InChIKeyUVZYUKYMCHYRHM-UHFFFAOYSA-N
XLogP4.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567352
methyl 2-(4-fluorophenyl)-7-oxo-[1,2,4]triazolo[5,1-b][1,3]thiazine-5-carboxylate
CID 6426252
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647
methyl 3-bromo-5-(4-fluorophenyl)benzoate
CID 69068418
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82565525) is methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1ccc(-c2cccc(Br)c2)n2nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is UVZYUKYMCHYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3O2/c1-27-20(26)16-9-10-17(13-3-2-4-14(21)11-13)25-19(16)23-18(24-25)12-5-7-15(22)8-6-12/h2-11H,1H3.
What are the key properties of methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 426.25 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82565525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).