2-methyl-6-(morpholin-2-yl)pyridin-4-ol dihydrochloride

• ChemBase ID: 62851
• Molecular Formular: C10H16Cl2N2O2
• Molecular Mass: 267.15224
• Monoisotopic Mass: 266.05888312
• SMILES: n1c(cc(cc1C)O)C1OCCNC1.Cl.Cl
• Canonical SMILES: Oc1cc(nc(c1)C)C1CNCCO1.Cl.Cl
• InChI: InChI=1S/C10H14N2O2.2ClH/c1-7-4-8(13)5-9(12-7)10-6-11-2-3-14-10;;/h4-5,10-11H,2-3,6H2,1H3,(H,12,13);2*1H
• InChIKey: ALZFIBQNYIZQCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(morpholin-2-yl)pyridin-4-ol dihydrochloride
• IUPAC Traditional name: 2-methyl-6-(morpholin-2-yl)pyridin-4-ol dihydrochloride
• Synonyms: 2-Methyl-6-morpholin-2-yl-pyridin-4-ol dihydrochloride

Database IDs

• MDL Number: MFCD21606119
• PubChem SID: 162028590
• PubChem CID: 71298853

CALCULATED PROPERTIES

• Acid pKa: 10.840759
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0128145
• LogD (pH = 7.4): -0.32017672
• Log P: 0.21665479
• Molar Refractivity: 52.0191 cm^3
• Polarizability: 20.65409 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false