5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid

C14H10N2O6 — CID 22419

IUPAC5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
InChIKeyQQBDLJCYGRGAKP-FOCLMDBBSA-N
MW302.24 g/mol
LogP2.91
Rot. Bonds4

About 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid

5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid (PubChem CID 22419) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
PubChem CID22419
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
InChIKeyQQBDLJCYGRGAKP-FOCLMDBBSA-N
XLogP2.91
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-Aminosalicylic Acid
CID 4075
5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
CID 54585
N-Acetyl-5-Aminosalicylic Acid
CID 65512
5-Nitrosalicylic acid
CID 7318
2-(4-Hydroxyphenylazo)benzoic acid
CID 74215
Mordant Orange 1
CID 15588
Mesalamine Hydrochloride
CID 201587
3-Aminosalicylic acid
CID 68443
4'-Hydroxyazobenzene-4-carboxylic Acid
CID 75620
Olsalazine sodium
CID 135413505
Lavendustin B
CID 3895
Chrysamine G
CID 160843

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid (CID 22419) is 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid is O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O.
What is the InChIKey of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid?
The InChIKey is QQBDLJCYGRGAKP-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+.
What are the key properties of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid?
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid has a molecular weight of 302.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 22419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).