2-(morpholin-4-yl)pyridine-3-carboxylic acid hydrochloride

• ChemBase ID: 249563
• Molecular Formular: C10H13ClN2O3
• Molecular Mass: 244.67482
• Monoisotopic Mass: 244.06146997
• SMILES: c1(c(C(=O)O)cccn1)N1CCOCC1.Cl
• Canonical SMILES: OC(=O)c1cccnc1N1CCOCC1.Cl
• InChI: InChI=1S/C10H12N2O3.ClH/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;/h1-3H,4-7H2,(H,13,14);1H
• InChIKey: ONFPOWGABHTBHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridine-3-carboxylic acid hydrochloride
• Synonyms: 2-morpholin-4-ylnicotinic acid hydrochloride

Database IDs

• MDL Number: MFCD07312729
• PubChem SID: 164305473
• PubChem CID: 12254384

CALCULATED PROPERTIES

• Acid pKa: 2.4266663
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7689904
• LogD (pH = 7.4): -1.6320844
• Log P: -0.7262971
• Molar Refractivity: 54.9739 cm^3
• Polarizability: 20.292189 Å^3
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 138°C
• Hydrophobicity(logP): 1.169

Product Information

• Purity: 95%
• Salt Data: HCl