1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde

C9H13NO2 — CID 174951481

IUPAC1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde
SMILESCOCCN1C=CC=CC1C=O
InChIInChI=1S/C9H13NO2/c1-12-7-6-10-5-3-2-4-9(10)8-11/h2-5,8-9H,6-7H2,1H3
InChIKeyVECFISFBAMLUFZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds4

About 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde

1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde (PubChem CID 174951481) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde
PubChem CID174951481
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde
SMILESCOCCN1C=CC=CC1C=O
InChIInChI=1S/C9H13NO2/c1-12-7-6-10-5-3-2-4-9(10)8-11/h2-5,8-9H,6-7H2,1H3
InChIKeyVECFISFBAMLUFZ-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde (CID 174951481) is 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde is COCCN1C=CC=CC1C=O.
What is the InChIKey of 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde?
The InChIKey is VECFISFBAMLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-7-6-10-5-3-2-4-9(10)8-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde?
1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 174951481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).