2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C14H12BrN3O — CID 117130289

IUPAC2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(Cc3cccc(Br)c3)nn2c1
InChIInChI=1S/C14H12BrN3O/c1-19-12-5-6-14-16-13(17-18(14)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3
InChIKeyGIHYEUHBSDRULT-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.09
Rot. Bonds3

About 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130289) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130289
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(Cc3cccc(Br)c3)nn2c1
InChIInChI=1S/C14H12BrN3O/c1-19-12-5-6-14-16-13(17-18(14)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3
InChIKeyGIHYEUHBSDRULT-UHFFFAOYSA-N
XLogP3.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130281
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
2-(2,2-dimethylpropyl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130642
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343
2-[(4-bromophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135150
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
2-[(4-methoxyphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566338
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 117130289) is 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc2nc(Cc3cccc(Br)c3)nn2c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GIHYEUHBSDRULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-19-12-5-6-14-16-13(17-18(14)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).