3-(2-pyridin-2-ylethoxy)propanal

C10H13NO2 — CID 63039480

IUPAC3-(2-pyridin-2-ylethoxy)propanal
SMILESO=CCCOCCc1ccccn1
InChIInChI=1S/C10H13NO2/c12-7-3-8-13-9-5-10-4-1-2-6-11-10/h1-2,4,6-7H,3,5,8-9H2
InChIKeyHKTMGMZFPBYXMA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.23
Rot. Bonds6

About 3-(2-pyridin-2-ylethoxy)propanal

3-(2-pyridin-2-ylethoxy)propanal (PubChem CID 63039480) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethoxy)propanal.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethoxy)propanal
PubChem CID63039480
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(2-pyridin-2-ylethoxy)propanal
SMILESO=CCCOCCc1ccccn1
InChIInChI=1S/C10H13NO2/c12-7-3-8-13-9-5-10-4-1-2-6-11-10/h1-2,4,6-7H,3,5,8-9H2
InChIKeyHKTMGMZFPBYXMA-UHFFFAOYSA-N
XLogP1.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.23
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

2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
5-pyridin-2-ylpentanal
CID 13416615
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethoxy)propanal?
The IUPAC name of 3-(2-pyridin-2-ylethoxy)propanal (CID 63039480) is 3-(2-pyridin-2-ylethoxy)propanal.
What is the SMILES notation for 3-(2-pyridin-2-ylethoxy)propanal?
The canonical SMILES for 3-(2-pyridin-2-ylethoxy)propanal is O=CCCOCCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethoxy)propanal?
The InChIKey is HKTMGMZFPBYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-7-3-8-13-9-5-10-4-1-2-6-11-10/h1-2,4,6-7H,3,5,8-9H2.
What are the key properties of 3-(2-pyridin-2-ylethoxy)propanal?
3-(2-pyridin-2-ylethoxy)propanal has a molecular weight of 179.22 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethoxy)propanal is sourced from PubChem (CID 63039480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).