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

C13H10BrN3O — CID 117258015

IUPAC8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1cccn2nc(COc3ccccc3)nc12
InChIInChI=1S/C13H10BrN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyGPUGJXZYCGYHSB-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.07
Rot. Bonds3

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

8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117258015) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117258015
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1cccn2nc(COc3ccccc3)nc12
InChIInChI=1S/C13H10BrN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyGPUGJXZYCGYHSB-UHFFFAOYSA-N
XLogP3.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117258032
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
CID 117257987
4-[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzoic acid
CID 123222984
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117258015) is 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine is Brc1cccn2nc(COc3ccccc3)nc12.
What is the InChIKey of 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GPUGJXZYCGYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 304.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117258015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).