2-(5-bromo-2-methoxyphenyl)benzotriazole

C13H10BrN3O — CID 163679985

IUPAC2-(5-bromo-2-methoxyphenyl)benzotriazole
SMILESCOc1ccc(Br)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H10BrN3O/c1-18-13-7-6-9(14)8-12(13)17-15-10-4-2-3-5-11(10)16-17/h2-8H,1H3
InChIKeyJKABJKYJNRBSGY-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.19
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)benzotriazole

2-(5-bromo-2-methoxyphenyl)benzotriazole (PubChem CID 163679985) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)benzotriazole
PubChem CID163679985
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name2-(5-bromo-2-methoxyphenyl)benzotriazole
SMILESCOc1ccc(Br)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H10BrN3O/c1-18-13-7-6-9(14)8-12(13)17-15-10-4-2-3-5-11(10)16-17/h2-8H,1H3
InChIKeyJKABJKYJNRBSGY-UHFFFAOYSA-N
XLogP3.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)benzotriazole?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)benzotriazole (CID 163679985) is 2-(5-bromo-2-methoxyphenyl)benzotriazole.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)benzotriazole?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)benzotriazole is COc1ccc(Br)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)benzotriazole?
The InChIKey is JKABJKYJNRBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-18-13-7-6-9(14)8-12(13)17-15-10-4-2-3-5-11(10)16-17/h2-8H,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)benzotriazole?
2-(5-bromo-2-methoxyphenyl)benzotriazole has a molecular weight of 304.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)benzotriazole is sourced from PubChem (CID 163679985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).