2-(2-pyridin-2-ylethoxy)acetaldehyde

C9H11NO2 — CID 54223442

IUPAC2-(2-pyridin-2-ylethoxy)acetaldehyde
SMILESO=CCOCCc1ccccn1
InChIInChI=1S/C9H11NO2/c11-6-8-12-7-4-9-3-1-2-5-10-9/h1-3,5-6H,4,7-8H2
InChIKeyUWVXWZWIEKOJHH-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.84
Rot. Bonds5

About 2-(2-pyridin-2-ylethoxy)acetaldehyde

2-(2-pyridin-2-ylethoxy)acetaldehyde (PubChem CID 54223442) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethoxy)acetaldehyde
PubChem CID54223442
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(2-pyridin-2-ylethoxy)acetaldehyde
SMILESO=CCOCCc1ccccn1
InChIInChI=1S/C9H11NO2/c11-6-8-12-7-4-9-3-1-2-5-10-9/h1-3,5-6H,4,7-8H2
InChIKeyUWVXWZWIEKOJHH-UHFFFAOYSA-N
XLogP0.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
methyl 2-methyl-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 77076347
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
ethyl (E)-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 80545663
2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde
CID 89022712
5-pyridin-2-ylpentanal
CID 13416615
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethoxy)acetaldehyde?
The IUPAC name of 2-(2-pyridin-2-ylethoxy)acetaldehyde (CID 54223442) is 2-(2-pyridin-2-ylethoxy)acetaldehyde.
What is the SMILES notation for 2-(2-pyridin-2-ylethoxy)acetaldehyde?
The canonical SMILES for 2-(2-pyridin-2-ylethoxy)acetaldehyde is O=CCOCCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethoxy)acetaldehyde?
The InChIKey is UWVXWZWIEKOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-8-12-7-4-9-3-1-2-5-10-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-(2-pyridin-2-ylethoxy)acetaldehyde?
2-(2-pyridin-2-ylethoxy)acetaldehyde has a molecular weight of 165.19 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethoxy)acetaldehyde is sourced from PubChem (CID 54223442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).