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

C14H9BrClN3O — CID 135775296

IUPAC5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H9BrClN3O/c15-8-5-6-11-9(7-8)13(14(20)17-11)19-18-12-4-2-1-3-10(12)16/h1-7,17,20H/b19-18+
InChIKeyQQDKHRSLAKBYTO-VHEBQXMUSA-N
MW350.60 g/mol
LogP5.70
Rot. Bonds2

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

5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol (PubChem CID 135775296) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol
PubChem CID135775296
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H9BrClN3O/c15-8-5-6-11-9(7-8)13(14(20)17-11)19-18-12-4-2-1-3-10(12)16/h1-7,17,20H/b19-18+
InChIKeyQQDKHRSLAKBYTO-VHEBQXMUSA-N
XLogP5.70
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.60
LogP ≤ 55.70
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-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Cdk2 Inhibitor II
CID 3551941
5-bromo-3-[2-(2H-tetrazol-5-yl)hydrazinyl]indol-2-one
CID 568301
N'-[(3E)-5-Bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methoxycarbohydrazide
CID 740762
1-(3-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea
CID 3005058
4-Chloro-7-methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3097857
1-[(5-Bromo-2-oxoindol-3-yl)amino]-3-(4-fluorophenyl)thiourea
CID 1984902
3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 4190125
3-[2-(4-Fluorophenyl)hydrazinyl]indol-2-one
CID 5159433
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136086960
3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one
CID 272588
1-(4-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea
CID 3005059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol (CID 135775296) is 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1Cl.
What is the InChIKey of 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is QQDKHRSLAKBYTO-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-8-5-6-11-9(7-8)13(14(20)17-11)19-18-12-4-2-1-3-10(12)16/h1-7,17,20H/b19-18+.
What are the key properties of 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol?
5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 350.60 g/mol, XLogP of 5.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135775296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).