Olsalazine

C14H10N2O6 — CID 22419

IUPAC5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
SMILESC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
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)
InChIKeyQQBDLJCYGRGAKP-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.10
Rot. Bonds4

About Olsalazine

Olsalazine (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 NameOlsalazine
PubChem CID22419
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
SMILESC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
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)
InChIKeyQQBDLJCYGRGAKP-UHFFFAOYSA-N
XLogP3.10
TPSA140.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 Olsalazine?
The IUPAC name of Olsalazine (CID 22419) is 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for Olsalazine?
The canonical SMILES for Olsalazine is C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O.
What is the InChIKey of Olsalazine?
The InChIKey is QQBDLJCYGRGAKP-UHFFFAOYSA-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).
What are the key properties of Olsalazine?
Olsalazine has a molecular weight of 302.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Olsalazine is sourced from PubChem (CID 22419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).