5-(4-bromo-3-fluorophenyl)-2H-tetrazole

C7H4BrFN4 — CID 131599403

IUPAC5-(4-bromo-3-fluorophenyl)-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)ccc1Br
InChIInChI=1S/C7H4BrFN4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyIUOCZMPZUDHROT-UHFFFAOYSA-N
MW243.04 g/mol
LogP1.77
Rot. Bonds1

About 5-(4-bromo-3-fluorophenyl)-2H-tetrazole

5-(4-bromo-3-fluorophenyl)-2H-tetrazole (PubChem CID 131599403) has the molecular formula C7H4BrFN4 and a molecular weight of 243.04 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-2H-tetrazole
PubChem CID131599403
Molecular FormulaC7H4BrFN4
Molecular Weight243.04 g/mol
Exact Mass241.96
IUPAC Name5-(4-bromo-3-fluorophenyl)-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)ccc1Br
InChIInChI=1S/C7H4BrFN4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyIUOCZMPZUDHROT-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-2H-tetrazole?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-2H-tetrazole (CID 131599403) is 5-(4-bromo-3-fluorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-2H-tetrazole is Fc1cc(-c2nn[nH]n2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-2H-tetrazole?
The InChIKey is IUOCZMPZUDHROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(4-bromo-3-fluorophenyl)-2H-tetrazole?
5-(4-bromo-3-fluorophenyl)-2H-tetrazole has a molecular weight of 243.04 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-2H-tetrazole is sourced from PubChem (CID 131599403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).