8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H10BrN3O — CID 117137616

IUPAC8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc3c(Br)cccn3n2)c1
InChIInChI=1S/C13H10BrN3O/c1-18-10-5-2-4-9(8-10)12-15-13-11(14)6-3-7-17(13)16-12/h2-8H,1H3
InChIKeyZFJQLABIKGULPC-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

About 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117137616) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117137616
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc3c(Br)cccn3n2)c1
InChIInChI=1S/C13H10BrN3O/c1-18-10-5-2-4-9(8-10)12-15-13-11(14)6-3-7-17(13)16-12/h2-8H,1H3
InChIKeyZFJQLABIKGULPC-UHFFFAOYSA-N
XLogP3.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117130737
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
2-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965261
2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173339636
2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155635456
3-bromo-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridine
CID 139886725
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127903
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117137616) is 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1cccc(-c2nc3c(Br)cccn3n2)c1.
What is the InChIKey of 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZFJQLABIKGULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-18-10-5-2-4-9(8-10)12-15-13-11(14)6-3-7-17(13)16-12/h2-8H,1H3.
What are the key properties of 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 304.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117137616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).