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

C13H9BrClN3 — CID 82566480

IUPAC2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(-c3cc(Cl)cc(Br)c3)nn12
InChIInChI=1S/C13H9BrClN3/c1-8-3-2-4-12-16-13(17-18(8)12)9-5-10(14)7-11(15)6-9/h2-7H,1H3
InChIKeyQVPPHSGHDBETDA-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.12
Rot. Bonds1

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

2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566480) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566480
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(-c3cc(Cl)cc(Br)c3)nn12
InChIInChI=1S/C13H9BrClN3/c1-8-3-2-4-12-16-13(17-18(8)12)9-5-10(14)7-11(15)6-9/h2-7H,1H3
InChIKeyQVPPHSGHDBETDA-UHFFFAOYSA-N
XLogP4.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566662
2-methyl-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966915
5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127909
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266
5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107938618
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135366
2-[5-(2-methoxyethyl)-3-pyridinyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 123463626
1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
CID 164892523
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
1-bromo-3-(3-chlorophenyl)-5-methylimidazo[1,5-a]pyridine
CID 84744696

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566480) is 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(-c3cc(Cl)cc(Br)c3)nn12.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QVPPHSGHDBETDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-3-2-4-12-16-13(17-18(8)12)9-5-10(14)7-11(15)6-9/h2-7H,1H3.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 322.59 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).