4-pyridin-2-yloxane-4-carbaldehyde

C11H13NO2 — CID 83684839

IUPAC4-pyridin-2-yloxane-4-carbaldehyde
SMILESO=CC1(c2ccccn2)CCOCC1
InChIInChI=1S/C11H13NO2/c13-9-11(4-7-14-8-5-11)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8H2
InChIKeySIMIOSPTFHKJRX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.33
Rot. Bonds2

About 4-pyridin-2-yloxane-4-carbaldehyde

4-pyridin-2-yloxane-4-carbaldehyde (PubChem CID 83684839) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-pyridin-2-yloxane-4-carbaldehyde.

Molecular Properties

Compound Name4-pyridin-2-yloxane-4-carbaldehyde
PubChem CID83684839
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-pyridin-2-yloxane-4-carbaldehyde
SMILESO=CC1(c2ccccn2)CCOCC1
InChIInChI=1S/C11H13NO2/c13-9-11(4-7-14-8-5-11)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8H2
InChIKeySIMIOSPTFHKJRX-UHFFFAOYSA-N
XLogP1.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
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 4-pyridin-2-yloxane-4-carbaldehyde?
The IUPAC name of 4-pyridin-2-yloxane-4-carbaldehyde (CID 83684839) is 4-pyridin-2-yloxane-4-carbaldehyde.
What is the SMILES notation for 4-pyridin-2-yloxane-4-carbaldehyde?
The canonical SMILES for 4-pyridin-2-yloxane-4-carbaldehyde is O=CC1(c2ccccn2)CCOCC1.
What is the InChIKey of 4-pyridin-2-yloxane-4-carbaldehyde?
The InChIKey is SIMIOSPTFHKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-11(4-7-14-8-5-11)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 4-pyridin-2-yloxane-4-carbaldehyde?
4-pyridin-2-yloxane-4-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yloxane-4-carbaldehyde is sourced from PubChem (CID 83684839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).