3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde

C15H15NO3 — CID 16769491

IUPAC3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cccnc1
InChIInChI=1S/C15H15NO3/c1-2-18-14-7-3-6-13(10-17)15(14)19-11-12-5-4-8-16-9-12/h3-10H,2,11H2,1H3
InChIKeyFOINKLYTZNNSOY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds6

About 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde

3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 16769491) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID16769491
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cccnc1
InChIInChI=1S/C15H15NO3/c1-2-18-14-7-3-6-13(10-17)15(14)19-11-12-5-4-8-16-9-12/h3-10H,2,11H2,1H3
InChIKeyFOINKLYTZNNSOY-UHFFFAOYSA-N
XLogP2.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 57361426
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde (CID 16769491) is 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde is CCOc1cccc(C=O)c1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is FOINKLYTZNNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-18-14-7-3-6-13(10-17)15(14)19-11-12-5-4-8-16-9-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde?
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 16769491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).