5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H12BrN3 — CID 117132592

IUPAC5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(Cc2nc3cccc(Br)n3n2)c1
InChIInChI=1S/C14H12BrN3/c1-10-4-2-5-11(8-10)9-13-16-14-7-3-6-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyBGEIORMNWKPKRZ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.39
Rot. Bonds2

About 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132592) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132592
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(Cc2nc3cccc(Br)n3n2)c1
InChIInChI=1S/C14H12BrN3/c1-10-4-2-5-11(8-10)9-13-16-14-7-3-6-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyBGEIORMNWKPKRZ-UHFFFAOYSA-N
XLogP3.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117132869
5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 117132587
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132829
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966917
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132609
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117132592) is 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(Cc2nc3cccc(Br)n3n2)c1.
What is the InChIKey of 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BGEIORMNWKPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-4-2-5-11(8-10)9-13-16-14-7-3-6-12(15)18(14)17-13/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 302.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).