6,7-dihydroxyquinoline-3-carboxylic acid

C10H7NO4 — CID 135795174

IUPAC6,7-dihydroxyquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C10H7NO4/c12-8-2-5-1-6(10(14)15)4-11-7(5)3-9(8)13/h1-4,12-13H,(H,14,15)
InChIKeyUBFNRTUZYQEEEP-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.34
Rot. Bonds1

About 6,7-dihydroxyquinoline-3-carboxylic acid

6,7-dihydroxyquinoline-3-carboxylic acid (PubChem CID 135795174) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6,7-dihydroxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydroxyquinoline-3-carboxylic acid
PubChem CID135795174
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name6,7-dihydroxyquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C10H7NO4/c12-8-2-5-1-6(10(14)15)4-11-7(5)3-9(8)13/h1-4,12-13H,(H,14,15)
InChIKeyUBFNRTUZYQEEEP-UHFFFAOYSA-N
XLogP1.34
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxyquinoline-3-carboxylic acid?
The IUPAC name of 6,7-dihydroxyquinoline-3-carboxylic acid (CID 135795174) is 6,7-dihydroxyquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-dihydroxyquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-dihydroxyquinoline-3-carboxylic acid is O=C(O)c1cnc2cc(O)c(O)cc2c1.
What is the InChIKey of 6,7-dihydroxyquinoline-3-carboxylic acid?
The InChIKey is UBFNRTUZYQEEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-2-5-1-6(10(14)15)4-11-7(5)3-9(8)13/h1-4,12-13H,(H,14,15).
What are the key properties of 6,7-dihydroxyquinoline-3-carboxylic acid?
6,7-dihydroxyquinoline-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxyquinoline-3-carboxylic acid is sourced from PubChem (CID 135795174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).