5-bromo-1-(4-fluorophenyl)benzotriazole

C12H7BrFN3 — CID 59437226

IUPAC5-bromo-1-(4-fluorophenyl)benzotriazole
SMILESFc1ccc(-n2nnc3cc(Br)ccc32)cc1
InChIInChI=1S/C12H7BrFN3/c13-8-1-6-12-11(7-8)15-16-17(12)10-4-2-9(14)3-5-10/h1-7H
InChIKeyMYOBVQZGQHQMAC-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.32
Rot. Bonds1

About 5-bromo-1-(4-fluorophenyl)benzotriazole

5-bromo-1-(4-fluorophenyl)benzotriazole (PubChem CID 59437226) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)benzotriazole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)benzotriazole
PubChem CID59437226
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name5-bromo-1-(4-fluorophenyl)benzotriazole
SMILESFc1ccc(-n2nnc3cc(Br)ccc32)cc1
InChIInChI=1S/C12H7BrFN3/c13-8-1-6-12-11(7-8)15-16-17(12)10-4-2-9(14)3-5-10/h1-7H
InChIKeyMYOBVQZGQHQMAC-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)benzotriazole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)benzotriazole (CID 59437226) is 5-bromo-1-(4-fluorophenyl)benzotriazole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)benzotriazole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)benzotriazole is Fc1ccc(-n2nnc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)benzotriazole?
The InChIKey is MYOBVQZGQHQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-8-1-6-12-11(7-8)15-16-17(12)10-4-2-9(14)3-5-10/h1-7H.
What are the key properties of 5-bromo-1-(4-fluorophenyl)benzotriazole?
5-bromo-1-(4-fluorophenyl)benzotriazole has a molecular weight of 292.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)benzotriazole is sourced from PubChem (CID 59437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).