6-(methoxymethyl)pyridine-2-carbaldehyde

• ChemBase ID: 294502
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: COCc1nc(C=O)ccc1
• Canonical SMILES: COCc1cccc(n1)C=O
• InChI: InChI=1S/C8H9NO2/c1-11-6-8-4-2-3-7(5-10)9-8/h2-5H,6H2,1H3
• InChIKey: YVXLNKNAMXTHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methoxymethyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(methoxymethyl)pyridine-2-carbaldehyde
• Synonyms: 6-(Methoxymethyl)picolinaldehyde

Database IDs

• CAS Number: 890904-66-2
• MDL Number: MFCD10700210
• PubChem SID: 180680033
• PubChem CID: 28950164

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0996519
• LogD (pH = 7.4): 1.0998647
• Log P: 1.0998675
• Molar Refractivity: 41.1448 cm^3
• Polarizability: 15.708142 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%