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

C15H11ClFN3O — CID 136867871

IUPAC3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
SMILESCc1cc(Cl)ccc1/N=N/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3O/c1-8-6-9(16)2-4-12(8)19-20-14-11-7-10(17)3-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyMGLUBVJUPBAMBN-FMQUCBEESA-N
MW303.72 g/mol
LogP5.39
Rot. Bonds2

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

3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol (PubChem CID 136867871) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
PubChem CID136867871
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
SMILESCc1cc(Cl)ccc1/N=N/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3O/c1-8-6-9(16)2-4-12(8)19-20-14-11-7-10(17)3-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+
InChIKeyMGLUBVJUPBAMBN-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'}

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Related Compounds

5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
CID 135775190
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
5-chloro-3-[(2,3-dichlorophenyl)diazenyl]-1H-indol-2-ol
CID 136867697
3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867812
5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135673583
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759
5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
CID 135983033

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol (CID 136867871) is 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol is Cc1cc(Cl)ccc1/N=N/c1c(O)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is MGLUBVJUPBAMBN-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-8-6-9(16)2-4-12(8)19-20-14-11-7-10(17)3-5-13(11)18-15(14)21/h2-7,18,21H,1H3/b20-19+.
What are the key properties of 3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
3-[(4-chloro-2-methylphenyl)diazenyl]-5-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-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 136867871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).