3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol

C15H11Cl2N3O — CID 136867574

IUPAC3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3cc(Cl)cc(Cl)c3)c(O)[nH]c12
InChIInChI=1S/C15H11Cl2N3O/c1-8-3-2-4-12-13(8)18-15(21)14(12)20-19-11-6-9(16)5-10(17)7-11/h2-7,18,21H,1H3/b20-19+
InChIKeyOUJBIRFLARMFLN-FMQUCBEESA-N
MW320.18 g/mol
LogP5.90
Rot. Bonds2

About 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol

3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol (PubChem CID 136867574) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
PubChem CID136867574
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3cc(Cl)cc(Cl)c3)c(O)[nH]c12
InChIInChI=1S/C15H11Cl2N3O/c1-8-3-2-4-12-13(8)18-15(21)14(12)20-19-11-6-9(16)5-10(17)7-11/h2-7,18,21H,1H3/b20-19+
InChIKeyOUJBIRFLARMFLN-FMQUCBEESA-N
XLogP5.90
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.90
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-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846209
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
CID 2692659
3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
CID 135775140
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate
CID 135708292
1-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3-(4-propan-2-ylphenyl)thiourea
CID 135620460

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol (CID 136867574) is 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol is Cc1cccc2c(/N=N/c3cc(Cl)cc(Cl)c3)c(O)[nH]c12.
What is the InChIKey of 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The InChIKey is OUJBIRFLARMFLN-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-8-3-2-4-12-13(8)18-15(21)14(12)20-19-11-6-9(16)5-10(17)7-11/h2-7,18,21H,1H3/b20-19+.
What are the key properties of 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol has a molecular weight of 320.18 g/mol, XLogP of 5.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol is sourced from PubChem (CID 136867574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).