5-(4-bromophenyl)-2-phenyltetrazole

C13H9BrN4 — CID 11370072

IUPAC5-(4-bromophenyl)-2-phenyltetrazole
SMILESBrc1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9BrN4/c14-11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H
InChIKeyVOFDSGAPVQQWCL-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-bromophenyl)-2-phenyltetrazole

5-(4-bromophenyl)-2-phenyltetrazole (PubChem CID 11370072) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-phenyltetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-phenyltetrazole
PubChem CID11370072
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC Name5-(4-bromophenyl)-2-phenyltetrazole
SMILESBrc1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9BrN4/c14-11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H
InChIKeyVOFDSGAPVQQWCL-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-phenyltetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-phenyltetrazole (CID 11370072) is 5-(4-bromophenyl)-2-phenyltetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-phenyltetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-phenyltetrazole is Brc1ccc(-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-phenyltetrazole?
The InChIKey is VOFDSGAPVQQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-11-8-6-10(7-9-11)13-15-17-18(16-13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-(4-bromophenyl)-2-phenyltetrazole?
5-(4-bromophenyl)-2-phenyltetrazole has a molecular weight of 301.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-phenyltetrazole is sourced from PubChem (CID 11370072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).