3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde

C19H23NO4 — CID 10969549

IUPAC3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde
SMILESCCOCCOc1c(C)ncc(COCc2ccccc2)c1C=O
InChIInChI=1S/C19H23NO4/c1-3-22-9-10-24-19-15(2)20-11-17(18(19)12-21)14-23-13-16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13-14H2,1-2H3
InChIKeyUIWWXCKBGNRHNL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds10

About 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde

3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde (PubChem CID 10969549) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde
PubChem CID10969549
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde
SMILESCCOCCOc1c(C)ncc(COCc2ccccc2)c1C=O
InChIInChI=1S/C19H23NO4/c1-3-22-9-10-24-19-15(2)20-11-17(18(19)12-21)14-23-13-16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13-14H2,1-2H3
InChIKeyUIWWXCKBGNRHNL-UHFFFAOYSA-N
XLogP3.33
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde (CID 10969549) is 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde is CCOCCOc1c(C)ncc(COCc2ccccc2)c1C=O.
What is the InChIKey of 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde?
The InChIKey is UIWWXCKBGNRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-22-9-10-24-19-15(2)20-11-17(18(19)12-21)14-23-13-16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13-14H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde?
3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde has a molecular weight of 329.40 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-2-methyl-5-(phenylmethoxymethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 10969549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).