5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde

C13H9BrN2O2 — CID 578477

IUPAC5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2Br)ccc1O
InChIInChI=1S/C13H9BrN2O2/c14-11-3-1-2-4-12(11)16-15-10-5-6-13(18)9(7-10)8-17/h1-8,18H/b16-15+
InChIKeyFBBWWEISJVXDHS-FOCLMDBBSA-N
MW305.13 g/mol
LogP4.38
Rot. Bonds3

About 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde

5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde (PubChem CID 578477) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde
PubChem CID578477
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2Br)ccc1O
InChIInChI=1S/C13H9BrN2O2/c14-11-3-1-2-4-12(11)16-15-10-5-6-13(18)9(7-10)8-17/h1-8,18H/b16-15+
InChIKeyFBBWWEISJVXDHS-FOCLMDBBSA-N
XLogP4.38
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde (CID 578477) is 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde is O=Cc1cc(/N=N/c2ccccc2Br)ccc1O.
What is the InChIKey of 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde?
The InChIKey is FBBWWEISJVXDHS-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-11-3-1-2-4-12(11)16-15-10-5-6-13(18)9(7-10)8-17/h1-8,18H/b16-15+.
What are the key properties of 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde?
5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde has a molecular weight of 305.13 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 578477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).