1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid

C17H11IN2O3 — CID 171384089

IUPAC1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(I)cc2)c2ccccc2c1O
InChIInChI=1S/C17H11IN2O3/c18-10-5-7-11(8-6-10)19-20-15-9-14(17(22)23)16(21)13-4-2-1-3-12(13)15/h1-9,21H,(H,22,23)/b20-19+
InChIKeyPWVDVJCGLUQZRU-FMQUCBEESA-N
MW418.19 g/mol
LogP5.26
Rot. Bonds3

About 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid

1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid (PubChem CID 171384089) has the molecular formula C17H11IN2O3 and a molecular weight of 418.19 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid
PubChem CID171384089
Molecular FormulaC17H11IN2O3
Molecular Weight418.19 g/mol
Exact Mass417.98
IUPAC Name1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(I)cc2)c2ccccc2c1O
InChIInChI=1S/C17H11IN2O3/c18-10-5-7-11(8-6-10)19-20-15-9-14(17(22)23)16(21)13-4-2-1-3-12(13)15/h1-9,21H,(H,22,23)/b20-19+
InChIKeyPWVDVJCGLUQZRU-FMQUCBEESA-N
XLogP5.26
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.19
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
2-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid
CID 136640607
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
bis(4-iodophenyl)diazene
CID 3544718
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 102032066
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid (CID 171384089) is 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid is O=C(O)c1cc(/N=N/c2ccc(I)cc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid?
The InChIKey is PWVDVJCGLUQZRU-FMQUCBEESA-N. The full InChI is InChI=1S/C17H11IN2O3/c18-10-5-7-11(8-6-10)19-20-15-9-14(17(22)23)16(21)13-4-2-1-3-12(13)15/h1-9,21H,(H,22,23)/b20-19+.
What are the key properties of 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid?
1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid has a molecular weight of 418.19 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 171384089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).