4-(1H-indol-3-yldiazenyl)benzoyl chloride

C15H10ClN3O — CID 137228700

IUPAC4-(1H-indol-3-yldiazenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H10ClN3O/c16-15(20)10-5-7-11(8-6-10)18-19-14-9-17-13-4-2-1-3-12(13)14/h1-9,17H/b19-18+
InChIKeyOVQAJINEJJUAKS-VHEBQXMUSA-N
MW283.72 g/mol
LogP4.96
Rot. Bonds3

About 4-(1H-indol-3-yldiazenyl)benzoyl chloride

4-(1H-indol-3-yldiazenyl)benzoyl chloride (PubChem CID 137228700) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-(1H-indol-3-yldiazenyl)benzoyl chloride.

Molecular Properties

Compound Name4-(1H-indol-3-yldiazenyl)benzoyl chloride
PubChem CID137228700
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name4-(1H-indol-3-yldiazenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H10ClN3O/c16-15(20)10-5-7-11(8-6-10)18-19-14-9-17-13-4-2-1-3-12(13)14/h1-9,17H/b19-18+
InChIKeyOVQAJINEJJUAKS-VHEBQXMUSA-N
XLogP4.96
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-yl-(4-nitrophenyl)diazene
CID 135447734
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
sodium 1H-indole-3-carboxylate
CID 23698293
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
CID 3534156
1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene
CID 135686964
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
N-(1H-indol-3-yl)-1-[2-(1H-indol-3-yliminomethyl)phenyl]methanimine
CID 66551006
N-oxo-1H-indole-3-carboxamide
CID 88522766
2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 137083857

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yldiazenyl)benzoyl chloride?
The IUPAC name of 4-(1H-indol-3-yldiazenyl)benzoyl chloride (CID 137228700) is 4-(1H-indol-3-yldiazenyl)benzoyl chloride.
What is the SMILES notation for 4-(1H-indol-3-yldiazenyl)benzoyl chloride?
The canonical SMILES for 4-(1H-indol-3-yldiazenyl)benzoyl chloride is O=C(Cl)c1ccc(/N=N/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-yldiazenyl)benzoyl chloride?
The InChIKey is OVQAJINEJJUAKS-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-15(20)10-5-7-11(8-6-10)18-19-14-9-17-13-4-2-1-3-12(13)14/h1-9,17H/b19-18+.
What are the key properties of 4-(1H-indol-3-yldiazenyl)benzoyl chloride?
4-(1H-indol-3-yldiazenyl)benzoyl chloride has a molecular weight of 283.72 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yldiazenyl)benzoyl chloride is sourced from PubChem (CID 137228700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).