methyl 2-methoxypyridine-3-carboxylate

• ChemBase ID: 16192
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: C(=O)(c1cccnc1OC)OC
• Canonical SMILES: COC(=O)c1cccnc1OC
• InChI: InChI=1S/C8H9NO3/c1-11-7-6(8(10)12-2)4-3-5-9-7/h3-5H,1-2H3
• InChIKey: MAHKNPZKAJMOLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methoxypyridine-3-carboxylate
• IUPAC Traditional name: methyl 2-methoxypyridine-3-carboxylate
• Synonyms: Methyl 2-methoxynicotinate

Database IDs

• CAS Number: 67367-26-4
• MDL Number: MFCD06801052
• PubChem SID: 160979499
• PubChem CID: 10820973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1958073
• LogD (pH = 7.4): 1.1958363
• Log P: 1.1958367
• Molar Refractivity: 42.7031 cm^3
• Polarizability: 16.417664 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%