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

C14H12BrN3O — CID 117137491

IUPAC8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(Cc2nc3c(Br)cccn3n2)cc1
InChIInChI=1S/C14H12BrN3O/c1-19-11-6-4-10(5-7-11)9-13-16-14-12(15)3-2-8-18(14)17-13/h2-8H,9H2,1H3
InChIKeyNWMLIFSPLNIHLE-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.09
Rot. Bonds3

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

8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117137491) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117137491
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(Cc2nc3c(Br)cccn3n2)cc1
InChIInChI=1S/C14H12BrN3O/c1-19-11-6-4-10(5-7-11)9-13-16-14-12(15)3-2-8-18(14)17-13/h2-8H,9H2,1H3
InChIKeyNWMLIFSPLNIHLE-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-[(4-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566284
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-c]quinazoline
CID 3163629
2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137293
2-[(4-bromophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135150
2-[(4-methoxyphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566338
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130281
10-(3-bromophenyl)-4-[(4-methoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605281
4-[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzoic acid
CID 123222984
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130289
10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898272

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117137491) is 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(Cc2nc3c(Br)cccn3n2)cc1.
What is the InChIKey of 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NWMLIFSPLNIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-19-11-6-4-10(5-7-11)9-13-16-14-12(15)3-2-8-18(14)17-13/h2-8H,9H2,1H3.
What are the key properties of 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-2-[(4-methoxyphenyl)methyl]-[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 8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117137491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).