3-hydroxyquinoline-4-carbaldehyde

C10H7NO2 — CID 59599757

IUPAC3-hydroxyquinoline-4-carbaldehyde
SMILESO=Cc1c(O)cnc2ccccc12
InChIInChI=1S/C10H7NO2/c12-6-8-7-3-1-2-4-9(7)11-5-10(8)13/h1-6,13H
InChIKeyZKYMZNOYFMCXFO-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.75
Rot. Bonds1

About 3-hydroxyquinoline-4-carbaldehyde

3-hydroxyquinoline-4-carbaldehyde (PubChem CID 59599757) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-hydroxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxyquinoline-4-carbaldehyde
PubChem CID59599757
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-hydroxyquinoline-4-carbaldehyde
SMILESO=Cc1c(O)cnc2ccccc12
InChIInChI=1S/C10H7NO2/c12-6-8-7-3-1-2-4-9(7)11-5-10(8)13/h1-6,13H
InChIKeyZKYMZNOYFMCXFO-UHFFFAOYSA-N
XLogP1.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyquinoline-4-carbaldehyde?
The IUPAC name of 3-hydroxyquinoline-4-carbaldehyde (CID 59599757) is 3-hydroxyquinoline-4-carbaldehyde.
What is the SMILES notation for 3-hydroxyquinoline-4-carbaldehyde?
The canonical SMILES for 3-hydroxyquinoline-4-carbaldehyde is O=Cc1c(O)cnc2ccccc12.
What is the InChIKey of 3-hydroxyquinoline-4-carbaldehyde?
The InChIKey is ZKYMZNOYFMCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-6-8-7-3-1-2-4-9(7)11-5-10(8)13/h1-6,13H.
What are the key properties of 3-hydroxyquinoline-4-carbaldehyde?
3-hydroxyquinoline-4-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyquinoline-4-carbaldehyde is sourced from PubChem (CID 59599757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).