4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde

C15H16N2O2 — CID 46782305

IUPAC4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
SMILES[2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3
InChIKeyFRMKJZNBTRONBV-FIBGUPNXSA-N
MW259.32 g/mol
LogP2.41
Rot. Bonds7

About 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde

4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde (PubChem CID 46782305) has the molecular formula C15H16N2O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
PubChem CID46782305
Molecular FormulaC15H16N2O2
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
SMILES[2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3
InChIKeyFRMKJZNBTRONBV-FIBGUPNXSA-N
XLogP2.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.41
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 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The IUPAC name of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde (CID 46782305) is 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde is [2H]C([2H])([2H])N(CCOc1ccc(C=O)cc1)c1ccccn1.
What is the InChIKey of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
The InChIKey is FRMKJZNBTRONBV-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(15-4-2-3-9-16-15)10-11-19-14-7-5-13(12-18)6-8-14/h2-9,12H,10-11H2,1H3/i1D3.
What are the key properties of 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde?
4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde has a molecular weight of 259.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde is sourced from PubChem (CID 46782305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).