2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde

C10H11NO3 — CID 121208403

IUPAC2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(C2CCOC2)c1=O
InChIInChI=1S/C10H11NO3/c12-6-8-2-1-4-11(10(8)13)9-3-5-14-7-9/h1-2,4,6,9H,3,5,7H2
InChIKeyWQXZPEKFNYSQPP-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.62
Rot. Bonds2

About 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde

2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde (PubChem CID 121208403) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde
PubChem CID121208403
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(C2CCOC2)c1=O
InChIInChI=1S/C10H11NO3/c12-6-8-2-1-4-11(10(8)13)9-3-5-14-7-9/h1-2,4,6,9H,3,5,7H2
InChIKeyWQXZPEKFNYSQPP-UHFFFAOYSA-N
XLogP0.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde (CID 121208403) is 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde is O=Cc1cccn(C2CCOC2)c1=O.
What is the InChIKey of 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde?
The InChIKey is WQXZPEKFNYSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-8-2-1-4-11(10(8)13)9-3-5-14-7-9/h1-2,4,6,9H,3,5,7H2.
What are the key properties of 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde?
2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde has a molecular weight of 193.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(oxolan-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 121208403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).