4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid

C18H13ClN2O3 — CID 3018314

IUPAC4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESCc1cccc(Cl)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C18H13ClN2O3/c1-10-5-4-8-14(19)15(10)20-21-16-12-7-3-2-6-11(12)9-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)/b21-20+
InChIKeyTVWUCWHOXKMEBG-QZQOTICOSA-N
MW340.77 g/mol
LogP5.62
Rot. Bonds3

About 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid

4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 3018314) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID3018314
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILESCc1cccc(Cl)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C18H13ClN2O3/c1-10-5-4-8-14(19)15(10)20-21-16-12-7-3-2-6-11(12)9-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)/b21-20+
InChIKeyTVWUCWHOXKMEBG-QZQOTICOSA-N
XLogP5.62
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.77
LogP ≤ 55.62
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'}

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Related Compounds

calcium;4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173363896
3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
CID 3108214
3-[[3-[[4-[[4-[(3-carboxy-6-methyl-2-propan-2-ylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dichlorophenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methyl-2-propan-2-ylbenzoic acid
CID 151675818
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 173040518
4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid
CID 170841565
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
CID 135783962
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
calcium;4-[(2-chloro-3-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;4-[(2-chloro-3-sulfophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
CID 136714496
4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]benzenecarboximidic acid
CID 136849552
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid (CID 3018314) is 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid is Cc1cccc(Cl)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12.
What is the InChIKey of 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is TVWUCWHOXKMEBG-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-10-5-4-8-14(19)15(10)20-21-16-12-7-3-2-6-11(12)9-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)/b21-20+.
What are the key properties of 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid?
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 3018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).