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

C13H10BrN3 — CID 117147131

IUPAC3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H10BrN3/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,1H3
InChIKeyLTNQCPQPJJTKCJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

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

3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117147131) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117147131
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H10BrN3/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,1H3
InChIKeyLTNQCPQPJJTKCJ-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393304
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138657
2-(3-bromophenyl)-1-methylpyrrole
CID 83647191
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 82056430

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117147131) is 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(-c3cccc(Br)c3)nnc12.
What is the InChIKey of 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LTNQCPQPJJTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,1H3.
What are the key properties of 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117147131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).