5,6-dihydroxy-2-oxoindole-3-carboxylic acid

C9H5NO5 — CID 151934866

IUPAC5,6-dihydroxy-2-oxoindole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(O)c(O)cc2=NC1=O
InChIInChI=1S/C9H5NO5/c11-5-1-3-4(2-6(5)12)10-8(13)7(3)9(14)15/h1-2,11-12H,(H,14,15)
InChIKeySZONMCVBLDDGSN-UHFFFAOYSA-N
MW207.14 g/mol
LogP-1.51
Rot. Bonds1

About 5,6-dihydroxy-2-oxoindole-3-carboxylic acid

5,6-dihydroxy-2-oxoindole-3-carboxylic acid (PubChem CID 151934866) has the molecular formula C9H5NO5 and a molecular weight of 207.14 g/mol. Its IUPAC name is 5,6-dihydroxy-2-oxoindole-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydroxy-2-oxoindole-3-carboxylic acid
PubChem CID151934866
Molecular FormulaC9H5NO5
Molecular Weight207.14 g/mol
Exact Mass207.02
IUPAC Name5,6-dihydroxy-2-oxoindole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(O)c(O)cc2=NC1=O
InChIInChI=1S/C9H5NO5/c11-5-1-3-4(2-6(5)12)10-8(13)7(3)9(14)15/h1-2,11-12H,(H,14,15)
InChIKeySZONMCVBLDDGSN-UHFFFAOYSA-N
XLogP-1.51
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-Oxoindole-3-carboxylic acid
CID 69017646
2-Oxo-1-benzazepine-3,4-dicarboxylic acid
CID 87978179

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-oxoindole-3-carboxylic acid?
The IUPAC name of 5,6-dihydroxy-2-oxoindole-3-carboxylic acid (CID 151934866) is 5,6-dihydroxy-2-oxoindole-3-carboxylic acid.
What is the SMILES notation for 5,6-dihydroxy-2-oxoindole-3-carboxylic acid?
The canonical SMILES for 5,6-dihydroxy-2-oxoindole-3-carboxylic acid is O=C(O)C1=c2cc(O)c(O)cc2=NC1=O.
What is the InChIKey of 5,6-dihydroxy-2-oxoindole-3-carboxylic acid?
The InChIKey is SZONMCVBLDDGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO5/c11-5-1-3-4(2-6(5)12)10-8(13)7(3)9(14)15/h1-2,11-12H,(H,14,15).
What are the key properties of 5,6-dihydroxy-2-oxoindole-3-carboxylic acid?
5,6-dihydroxy-2-oxoindole-3-carboxylic acid has a molecular weight of 207.14 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-2-oxoindole-3-carboxylic acid is sourced from PubChem (CID 151934866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).