6-(piperidin-1-yl)pyridine-2-carboxylic acid

• ChemBase ID: 92604
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: n1c(cccc1N1CCCCC1)C(=O)O
• Canonical SMILES: OC(=O)c1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
• InChIKey: ZBNWTBPSTOBOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)pyridine-2-carboxylic acid
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridine-2-carboxylic acid
• Synonyms: 6-piperidinopyridine-2-carboxylic acid; 6-(Piperidin-1-yl)picolinic acid; 2-Carboxy-6-(piperidin-1-yl)pyridine; 1-(6-Carboxypyridin-2-yl)piperidine; 6-(Piperidin-1-yl)pyridine-2-carboxylic acid 97%

Database IDs

• CAS Number: 868755-50-4
• MDL Number: MFCD08435860
• PubChem SID: 162079302
• PubChem CID: 18524421

CALCULATED PROPERTIES

• Acid pKa: 1.727464
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3058751
• LogD (pH = 7.4): -0.23894224
• Log P: 0.32124984
• Molar Refractivity: 57.6694 cm^3
• Polarizability: 21.397427 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97.5-101.5°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Store under Argon

Product Information

• Purity: 97%