3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol

C15H12ClN3O — CID 135730473

IUPAC3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3cccc(Cl)c3)c(O)[nH]c12
InChIInChI=1S/C15H12ClN3O/c1-9-4-2-7-12-13(9)17-15(20)14(12)19-18-11-6-3-5-10(16)8-11/h2-8,17,20H,1H3/b19-18+
InChIKeyQYHQFBYERMKZNX-VHEBQXMUSA-N
MW285.73 g/mol
LogP5.25
Rot. Bonds2

About 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol

3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol (PubChem CID 135730473) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
PubChem CID135730473
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1cccc2c(/N=N/c3cccc(Cl)c3)c(O)[nH]c12
InChIInChI=1S/C15H12ClN3O/c1-9-4-2-7-12-13(9)17-15(20)14(12)19-18-11-6-3-5-10(16)8-11/h2-8,17,20H,1H3/b19-18+
InChIKeyQYHQFBYERMKZNX-VHEBQXMUSA-N
XLogP5.25
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.73
LogP ≤ 55.25
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-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
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
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
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
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
CID 135730971
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol (CID 135730473) is 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol is Cc1cccc2c(/N=N/c3cccc(Cl)c3)c(O)[nH]c12.
What is the InChIKey of 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The InChIKey is QYHQFBYERMKZNX-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-4-2-7-12-13(9)17-15(20)14(12)19-18-11-6-3-5-10(16)8-11/h2-8,17,20H,1H3/b19-18+.
What are the key properties of 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol?
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol has a molecular weight of 285.73 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol is sourced from PubChem (CID 135730473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).