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

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Related Compounds

5-(2-bromo-5-fluorophenyl)-2H-tetrazole
CID 21069926
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420
1-[[4-methyl-2-(2H-tetrazol-5-yl)phenyl]methyl]piperazine
CID 159710709
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
CID 82295340
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
5-(2-methylfuran-3-yl)-2H-tetrazole
CID 69188252
5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole
CID 175557064
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942

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).