3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C13H10BrN3O — CID 117145584

IUPAC3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H10BrN3O/c1-18-11-6-3-7-17-12(15-16-13(11)17)9-4-2-5-10(14)8-9/h2-8H,1H3
InChIKeyNJHNTIPWWIPDOO-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

About 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145584) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145584
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H10BrN3O/c1-18-11-6-3-7-17-12(15-16-13(11)17)9-4-2-5-10(14)8-9/h2-8H,1H3
InChIKeyNJHNTIPWWIPDOO-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117145584) is 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(-c3cccc(Br)c3)nnc12.
What is the InChIKey of 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NJHNTIPWWIPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-18-11-6-3-7-17-12(15-16-13(11)17)9-4-2-5-10(14)8-9/h2-8H,1H3.
What are the key properties of 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-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 3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).