3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol

C16H14BrN3O — CID 136867473

IUPAC3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccc(Br)c(C)c3)c2c1
InChIInChI=1S/C16H14BrN3O/c1-9-3-6-14-12(7-9)15(16(21)18-14)20-19-11-4-5-13(17)10(2)8-11/h3-8,18,21H,1-2H3/b20-19+
InChIKeyPSTPIALIRSRDCO-FMQUCBEESA-N
MW344.21 g/mol
LogP5.67
Rot. Bonds2

About 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol

3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol (PubChem CID 136867473) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
PubChem CID136867473
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccc(Br)c(C)c3)c2c1
InChIInChI=1S/C16H14BrN3O/c1-9-3-6-14-12(7-9)15(16(21)18-14)20-19-11-4-5-13(17)10(2)8-11/h3-8,18,21H,1-2H3/b20-19+
InChIKeyPSTPIALIRSRDCO-FMQUCBEESA-N
XLogP5.67
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.21
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
CID 135981069
CID 135981069
3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867814
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136718435
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135818199
3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol (CID 136867473) is 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/N=N/c3ccc(Br)c(C)c3)c2c1.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol?
The InChIKey is PSTPIALIRSRDCO-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-3-6-14-12(7-9)15(16(21)18-14)20-19-11-4-5-13(17)10(2)8-11/h3-8,18,21H,1-2H3/b20-19+.
What are the key properties of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol?
3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol has a molecular weight of 344.21 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol is sourced from PubChem (CID 136867473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).