3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol

C15H11ClFN3O — CID 136867923

IUPAC3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c1-8-5-6-9(7-11(8)16)19-20-14-10-3-2-4-12(17)13(10)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyYCNOJTCOUKYFJI-FMQUCBEESA-N
MW303.72 g/mol
LogP5.39
Rot. Bonds2

About 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol

3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol (PubChem CID 136867923) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
PubChem CID136867923
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c1-8-5-6-9(7-11(8)16)19-20-14-10-3-2-4-12(17)13(10)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyYCNOJTCOUKYFJI-FMQUCBEESA-N
XLogP5.39
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.72
LogP ≤ 55.39
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'}

Analyze 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 177249161
3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867814
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846209
3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 166205930
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867812

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol (CID 136867923) is 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol is Cc1ccc(/N=N/c2c(O)[nH]c3c(F)cccc23)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol?
The InChIKey is YCNOJTCOUKYFJI-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-8-5-6-9(7-11(8)16)19-20-14-10-3-2-4-12(17)13(10)18-15(14)21/h2-7,18,21H,1H3/b20-19+.
What are the key properties of 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol?
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol has a molecular weight of 303.72 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol is sourced from PubChem (CID 136867923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).