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'}

Analyze 6,7-dihydroxyquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6-chloroquinoline-3-carboxylic acid
CID 14241492
7-amino-6-methylquinoline-3-carboxylic acid
CID 129276404
6-iodo-7-methylsulfanylquinoline-3-carboxylic acid
CID 129276241
7-(azetidin-1-yl)-1,6-naphthyridine-3-carboxylic acid
CID 142496402
6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
CID 129247514
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid
CID 99109910
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
7-cyclobutyl-6-methylquinoline-3-carboxylic acid
CID 129275964
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
8-methyl-1,6-naphthyridine-3-carboxylic acid
CID 55271448

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).