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

C15H11BrClN3O — CID 136702304

IUPAC3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C15H11BrClN3O/c1-8-6-10(3-4-12(8)16)19-20-14-11-7-9(17)2-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyZDUHCFAOVSZUHL-FMQUCBEESA-N
MW364.63 g/mol
LogP6.01
Rot. Bonds2

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

3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol (PubChem CID 136702304) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol
PubChem CID136702304
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C15H11BrClN3O/c1-8-6-10(3-4-12(8)16)19-20-14-11-7-9(17)2-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyZDUHCFAOVSZUHL-FMQUCBEESA-N
XLogP6.01
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 56.01
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

N'-[(3E)-5-Bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methoxycarbohydrazide
CID 740762
3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 4190125
3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one
CID 272588
1-(4-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea
CID 3005059
(Z)-N-[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide
CID 135426685
5-Bromoindole-2,3-dione 3-hydrazone
CID 17105
(3E)-1H-indole-2,3-dione 3-[(4-chloro-2,3,5,6-tetrafluorophenyl)hydrazone]
CID 3533047
5-Bromo-3-[2-(4-fluorophenyl)hydrazinyl]indol-2-one
CID 3621325
1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]guanidine;hydrochloride
CID 135439796
3-[2-(3-Chlorophenyl)hydrazinyl]indol-2-one
CID 3901929
Indole-2, 3-[(o-chlorophenyl)hydrazone]
CID 272589
2-(3-chlorophenyl)-N'-(2-oxo-1,2-dihydro-3H-indol-3-yliden)acetohydrazide
CID 5095151

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol (CID 136702304) is 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol is Cc1cc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol?
The InChIKey is ZDUHCFAOVSZUHL-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-8-6-10(3-4-12(8)16)19-20-14-11-7-9(17)2-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+.
What are the key properties of 3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol?
3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol has a molecular weight of 364.63 g/mol, XLogP of 6.01, 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-chloro-1H-indol-2-ol is sourced from PubChem (CID 136702304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).