3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol

C16H14ClN3O — CID 136867576

IUPAC3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C16H14ClN3O/c1-9-6-7-11(17)8-13(9)19-20-15-12-5-3-4-10(2)14(12)18-16(15)21/h3-8,18,21H,1-2H3/b20-19+
InChIKeyJXVGLUAEBQNIKN-FMQUCBEESA-N
MW299.76 g/mol
LogP5.56
Rot. Bonds2

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

3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol (PubChem CID 136867576) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
PubChem CID136867576
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C16H14ClN3O/c1-9-6-7-11(17)8-13(9)19-20-15-12-5-3-4-10(2)14(12)18-16(15)21/h3-8,18,21H,1-2H3/b20-19+
InChIKeyJXVGLUAEBQNIKN-FMQUCBEESA-N
XLogP5.56
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.76
LogP ≤ 55.56
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol (CID 136867576) is 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol is Cc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2c(C)cccc12.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The InChIKey is JXVGLUAEBQNIKN-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-9-6-7-11(17)8-13(9)19-20-15-12-5-3-4-10(2)14(12)18-16(15)21/h3-8,18,21H,1-2H3/b20-19+.
What are the key properties of 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol has a molecular weight of 299.76 g/mol, XLogP of 5.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol is sourced from PubChem (CID 136867576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).