5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol

C15H12BrN3O2 — CID 2841404

IUPAC5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol
SMILESCOc1ccccc1/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H12BrN3O2/c1-21-13-5-3-2-4-12(13)18-19-14-10-8-9(16)6-7-11(10)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyAIQLNFJGGZNOHA-VHEBQXMUSA-N
MW346.18 g/mol
LogP5.06
Rot. Bonds3

About 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol

5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 2841404) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol
PubChem CID2841404
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol
SMILESCOc1ccccc1/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H12BrN3O2/c1-21-13-5-3-2-4-12(13)18-19-14-10-8-9(16)6-7-11(10)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyAIQLNFJGGZNOHA-VHEBQXMUSA-N
XLogP5.06
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.18
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol (CID 2841404) is 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol is COc1ccccc1/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is AIQLNFJGGZNOHA-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-13-5-3-2-4-12(13)18-19-14-10-8-9(16)6-7-11(10)17-15(14)20/h2-8,17,20H,1H3/b19-18+.
What are the key properties of 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol?
5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 346.18 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-methoxyphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 2841404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).