methyl 6-(morpholin-4-yl)pyridine-3-carboxylate

• ChemBase ID: 80670
• Molecular Formular: C11H14N2O3
• Molecular Mass: 222.24046
• Monoisotopic Mass: 222.10044232
• SMILES: n1cc(ccc1N1CCOCC1)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C11H14N2O3/c1-15-11(14)9-2-3-10(12-8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
• InChIKey: FFBPRHFKXVNLDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-(morpholin-4-yl)pyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-(morpholin-4-yl)pyridine-3-carboxylate
• Synonyms: methyl 6-morpholinonicotinate

Database IDs

• CAS Number: 132546-81-7
• MDL Number: MFCD03783347
• PubChem SID: 162067790
• PubChem CID: 2776466

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.204916
• LogD (pH = 7.4): 1.2425482
• Log P: 1.2430513
• Molar Refractivity: 59.743 cm^3
• Polarizability: 22.360985 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-112°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%