3-(pyrrolidin-3-yl)pyridine hydrochloride

• ChemBase ID: 70758
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: c1c(cccn1)C1CNCC1.Cl
• Canonical SMILES: C1NCC(C1)c1cccnc1.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-2,4,6,9,11H,3,5,7H2;1H
• InChIKey: PIEFWEDYWCFKTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-3-yl)pyridine hydrochloride
• IUPAC Traditional name: 3-(pyrrolidin-3-yl)pyridine hydrochloride
• Synonyms: 3-(Pyrrolidin-3-yl)pyridine hydrochloride

Database IDs

• CAS Number: 1373253-17-8
• MDL Number: MFCD11052327
• PubChem SID: 162103505
• PubChem CID: 56965773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7484362
• LogD (pH = 7.4): -2.5205472
• Log P: 0.49402335
• Molar Refractivity: 44.6441 cm^3
• Polarizability: 17.526463 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%