5-(2-bromo-5-methylphenyl)-2H-tetrazole

C8H7BrN4 — CID 166595540

IUPAC5-(2-bromo-5-methylphenyl)-2H-tetrazole
SMILESCc1ccc(Br)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7BrN4/c1-5-2-3-7(9)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChIKeyFFUIGURAMDLHNK-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.94
Rot. Bonds1

About 5-(2-bromo-5-methylphenyl)-2H-tetrazole

5-(2-bromo-5-methylphenyl)-2H-tetrazole (PubChem CID 166595540) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-(2-bromo-5-methylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-bromo-5-methylphenyl)-2H-tetrazole
PubChem CID166595540
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name5-(2-bromo-5-methylphenyl)-2H-tetrazole
SMILESCc1ccc(Br)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7BrN4/c1-5-2-3-7(9)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChIKeyFFUIGURAMDLHNK-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-bromo-5-methylphenyl)-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methylphenyl)-2H-tetrazole?
The IUPAC name of 5-(2-bromo-5-methylphenyl)-2H-tetrazole (CID 166595540) is 5-(2-bromo-5-methylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-bromo-5-methylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(2-bromo-5-methylphenyl)-2H-tetrazole is Cc1ccc(Br)c(-c2nn[nH]n2)c1.
What is the InChIKey of 5-(2-bromo-5-methylphenyl)-2H-tetrazole?
The InChIKey is FFUIGURAMDLHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c1-5-2-3-7(9)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13).
What are the key properties of 5-(2-bromo-5-methylphenyl)-2H-tetrazole?
5-(2-bromo-5-methylphenyl)-2H-tetrazole has a molecular weight of 239.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methylphenyl)-2H-tetrazole is sourced from PubChem (CID 166595540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).