benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone

C13H8BrN3O2 — CID 11515229

IUPACbenzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Br)ccc1O)n1nnc2ccccc21
InChIInChI=1S/C13H8BrN3O2/c14-8-5-6-12(18)9(7-8)13(19)17-11-4-2-1-3-10(11)15-16-17/h1-7,18H
InChIKeyOPHIBCGDXHVZCP-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.59
Rot. Bonds1

About benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone

benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone (PubChem CID 11515229) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone
PubChem CID11515229
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Namebenzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Br)ccc1O)n1nnc2ccccc21
InChIInChI=1S/C13H8BrN3O2/c14-8-5-6-12(18)9(7-8)13(19)17-11-4-2-1-3-10(11)15-16-17/h1-7,18H
InChIKeyOPHIBCGDXHVZCP-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzotriazol-1-ylmethyl-4-bromo-phenol
CID 6498134
Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 10967695
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
(2-Hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
CID 11109578
(2-Hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
CID 11782023
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 139217770
3-Bromo-2-((3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl)carbonyl)phenol
CID 362545

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone (CID 11515229) is benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone is O=C(c1cc(Br)ccc1O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone?
The InChIKey is OPHIBCGDXHVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-8-5-6-12(18)9(7-8)13(19)17-11-4-2-1-3-10(11)15-16-17/h1-7,18H.
What are the key properties of benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone?
benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone has a molecular weight of 318.13 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(5-bromo-2-hydroxyphenyl)methanone is sourced from PubChem (CID 11515229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).