5-(2-bromophenyl)-2-tert-butyltetrazole

C11H13BrN4 — CID 10333901

IUPAC5-(2-bromophenyl)-2-tert-butyltetrazole
SMILESCC(C)(C)n1nnc(-c2ccccc2Br)n1
InChIInChI=1S/C11H13BrN4/c1-11(2,3)16-14-10(13-15-16)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChIKeyWGJUUNXZYPXXCS-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.86
Rot. Bonds1

About 5-(2-bromophenyl)-2-tert-butyltetrazole

5-(2-bromophenyl)-2-tert-butyltetrazole (PubChem CID 10333901) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-tert-butyltetrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-tert-butyltetrazole
PubChem CID10333901
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-(2-bromophenyl)-2-tert-butyltetrazole
SMILESCC(C)(C)n1nnc(-c2ccccc2Br)n1
InChIInChI=1S/C11H13BrN4/c1-11(2,3)16-14-10(13-15-16)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChIKeyWGJUUNXZYPXXCS-UHFFFAOYSA-N
XLogP2.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-tert-butyltetrazole?
The IUPAC name of 5-(2-bromophenyl)-2-tert-butyltetrazole (CID 10333901) is 5-(2-bromophenyl)-2-tert-butyltetrazole.
What is the SMILES notation for 5-(2-bromophenyl)-2-tert-butyltetrazole?
The canonical SMILES for 5-(2-bromophenyl)-2-tert-butyltetrazole is CC(C)(C)n1nnc(-c2ccccc2Br)n1.
What is the InChIKey of 5-(2-bromophenyl)-2-tert-butyltetrazole?
The InChIKey is WGJUUNXZYPXXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-11(2,3)16-14-10(13-15-16)8-6-4-5-7-9(8)12/h4-7H,1-3H3.
What are the key properties of 5-(2-bromophenyl)-2-tert-butyltetrazole?
5-(2-bromophenyl)-2-tert-butyltetrazole has a molecular weight of 281.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-tert-butyltetrazole is sourced from PubChem (CID 10333901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).