[4-(hydroxymethyl)-2-(pyridin-3-yl)-1,3-oxazolidin-4-yl]methanol

• ChemBase ID: 14130
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C1(NC(OC1)c1cccnc1)(CO)CO
• Canonical SMILES: OCC1(CO)COC(N1)c1cccnc1
• InChI: InChI=1S/C10H14N2O3/c13-5-10(6-14)7-15-9(12-10)8-2-1-3-11-4-8/h1-4,9,12-14H,5-7H2
• InChIKey: MYIFKGWBTWJXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(hydroxymethyl)-2-(pyridin-3-yl)-1,3-oxazolidin-4-yl]methanol
• IUPAC Traditional name: [4-(hydroxymethyl)-2-(pyridin-3-yl)-1,3-oxazolidin-4-yl]methanol
• Synonyms: (4-Hydroxymethyl-2-pyridin-3-yl-oxazolidin-4-yl)-methanol

Database IDs

• MDL Number: MFCD01647535
• PubChem SID: 160977437
• PubChem CID: 648219

CALCULATED PROPERTIES

• Acid pKa: 14.328987
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.193114
• LogD (pH = 7.4): -1.0531913
• Log P: -0.9753684
• Molar Refractivity: 53.1056 cm^3
• Polarizability: 21.390818 Å^3
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false