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

C14H12BrN3 — CID 117135083

IUPAC7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1Cc1nc2cc(Br)ccn2n1
InChIInChI=1S/C14H12BrN3/c1-10-4-2-3-5-11(10)8-13-16-14-9-12(15)6-7-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyPGOOCLUHMSHVGR-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.39
Rot. Bonds2

About 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135083) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135083
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1Cc1nc2cc(Br)ccn2n1
InChIInChI=1S/C14H12BrN3/c1-10-4-2-3-5-11(10)8-13-16-14-9-12(15)6-7-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyPGOOCLUHMSHVGR-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

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Related Compounds

2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135097
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137351
2-[(2-fluorophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135034
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
CID 116990016
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134843
[2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135042
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117135083) is 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccccc1Cc1nc2cc(Br)ccn2n1.
What is the InChIKey of 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PGOOCLUHMSHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-4-2-3-5-11(10)8-13-16-14-9-12(15)6-7-18(14)17-13/h2-7,9H,8H2,1H3.
What are the key properties of 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-[(2-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 7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).