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

C14H9BrN4O3 — CID 3902609

IUPAC5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1cccc(/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrN4O3/c15-8-4-5-12-11(6-8)13(14(20)16-12)18-17-9-2-1-3-10(7-9)19(21)22/h1-7,16,20H/b18-17+
InChIKeyHYXGJBGRRBTVSJ-ISLYRVAYSA-N
MW361.16 g/mol
LogP4.96
Rot. Bonds3

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

5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol (PubChem CID 3902609) has the molecular formula C14H9BrN4O3 and a molecular weight of 361.16 g/mol. Its IUPAC name is 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol
PubChem CID3902609
Molecular FormulaC14H9BrN4O3
Molecular Weight361.16 g/mol
Exact Mass359.99
IUPAC Name5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1cccc(/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrN4O3/c15-8-4-5-12-11(6-8)13(14(20)16-12)18-17-9-2-1-3-10(7-9)19(21)22/h1-7,16,20H/b18-17+
InChIKeyHYXGJBGRRBTVSJ-ISLYRVAYSA-N
XLogP4.96
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(3-nitrophenyl)diazene
CID 10858607
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
CID 135924021
2-N,4-N-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226370
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
CID 136544251

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol (CID 3902609) is 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1cccc(/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is HYXGJBGRRBTVSJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H9BrN4O3/c15-8-4-5-12-11(6-8)13(14(20)16-12)18-17-9-2-1-3-10(7-9)19(21)22/h1-7,16,20H/b18-17+.
What are the key properties of 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol?
5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 361.16 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3902609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).