5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole

C13H8BrFN4 — CID 856025

IUPAC5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2-c2ccccc2Br)cc1
InChIInChI=1S/C13H8BrFN4/c14-12-4-2-1-3-11(12)13-16-17-18-19(13)10-7-5-9(15)6-8-10/h1-8H
InChIKeyYRYUANQIQTYHSB-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.23
Rot. Bonds2

About 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole

5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole (PubChem CID 856025) has the molecular formula C13H8BrFN4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole
PubChem CID856025
Molecular FormulaC13H8BrFN4
Molecular Weight319.14 g/mol
Exact Mass317.99
IUPAC Name5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2-c2ccccc2Br)cc1
InChIInChI=1S/C13H8BrFN4/c14-12-4-2-1-3-11(12)13-16-17-18-19(13)10-7-5-9(15)6-8-10/h1-8H
InChIKeyYRYUANQIQTYHSB-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole (CID 856025) is 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole is Fc1ccc(-n2nnnc2-c2ccccc2Br)cc1.
What is the InChIKey of 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole?
The InChIKey is YRYUANQIQTYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4/c14-12-4-2-1-3-11(12)13-16-17-18-19(13)10-7-5-9(15)6-8-10/h1-8H.
What are the key properties of 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole?
5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole has a molecular weight of 319.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 856025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).