1-(2-bromophenyl)tetrazole

C7H5BrN4 — CID 702063

IUPAC1-(2-bromophenyl)tetrazole
SMILESBrc1ccccc1-n1cnnn1
InChIInChI=1S/C7H5BrN4/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H
InChIKeyJIIHTZCRHRSTDL-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-bromophenyl)tetrazole

1-(2-bromophenyl)tetrazole (PubChem CID 702063) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 1-(2-bromophenyl)tetrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)tetrazole
PubChem CID702063
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name1-(2-bromophenyl)tetrazole
SMILESBrc1ccccc1-n1cnnn1
InChIInChI=1S/C7H5BrN4/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H
InChIKeyJIIHTZCRHRSTDL-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)tetrazole?
The IUPAC name of 1-(2-bromophenyl)tetrazole (CID 702063) is 1-(2-bromophenyl)tetrazole.
What is the SMILES notation for 1-(2-bromophenyl)tetrazole?
The canonical SMILES for 1-(2-bromophenyl)tetrazole is Brc1ccccc1-n1cnnn1.
What is the InChIKey of 1-(2-bromophenyl)tetrazole?
The InChIKey is JIIHTZCRHRSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H.
What are the key properties of 1-(2-bromophenyl)tetrazole?
1-(2-bromophenyl)tetrazole has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)tetrazole is sourced from PubChem (CID 702063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).