2-hydroxy-2-quinolin-4-ylacetaldehyde

C11H9NO2 — CID 54335156

IUPAC2-hydroxy-2-quinolin-4-ylacetaldehyde
SMILESO=CC(O)c1ccnc2ccccc12
InChIInChI=1S/C11H9NO2/c13-7-11(14)9-5-6-12-10-4-2-1-3-8(9)10/h1-7,11,14H
InChIKeyFYJPUSCHNJVIBZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds2

About 2-hydroxy-2-quinolin-4-ylacetaldehyde

2-hydroxy-2-quinolin-4-ylacetaldehyde (PubChem CID 54335156) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-hydroxy-2-quinolin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-quinolin-4-ylacetaldehyde
PubChem CID54335156
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-hydroxy-2-quinolin-4-ylacetaldehyde
SMILESO=CC(O)c1ccnc2ccccc12
InChIInChI=1S/C11H9NO2/c13-7-11(14)9-5-6-12-10-4-2-1-3-8(9)10/h1-7,11,14H
InChIKeyFYJPUSCHNJVIBZ-UHFFFAOYSA-N
XLogP1.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.47
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 2-hydroxy-2-quinolin-4-ylacetaldehyde?
The IUPAC name of 2-hydroxy-2-quinolin-4-ylacetaldehyde (CID 54335156) is 2-hydroxy-2-quinolin-4-ylacetaldehyde.
What is the SMILES notation for 2-hydroxy-2-quinolin-4-ylacetaldehyde?
The canonical SMILES for 2-hydroxy-2-quinolin-4-ylacetaldehyde is O=CC(O)c1ccnc2ccccc12.
What is the InChIKey of 2-hydroxy-2-quinolin-4-ylacetaldehyde?
The InChIKey is FYJPUSCHNJVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-7-11(14)9-5-6-12-10-4-2-1-3-8(9)10/h1-7,11,14H.
What are the key properties of 2-hydroxy-2-quinolin-4-ylacetaldehyde?
2-hydroxy-2-quinolin-4-ylacetaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-quinolin-4-ylacetaldehyde is sourced from PubChem (CID 54335156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).