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

• ChemBase ID: 238329
• Molecular Formular: C12H16N2O3
• Molecular Mass: 236.26704
• Monoisotopic Mass: 236.11609238
• SMILES: c1(ncc(C(=O)OCC)cc1)N1CCOCC1
• Canonical SMILES: CCOC(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C12H16N2O3/c1-2-17-12(15)10-3-4-11(13-9-10)14-5-7-16-8-6-14/h3-4,9H,2,5-8H2,1H3
• InChIKey: XZINZIKSHPDGED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06205206
• PubChem SID: 164294239
• PubChem CID: 14297054

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5618505
• LogD (pH = 7.4): 1.599358
• Log P: 1.5998592
• Molar Refractivity: 64.4916 cm^3
• Polarizability: 24.1927 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%