2-(pyrrolidin-3-yl)pyridine hydrochloride

• ChemBase ID: 43107
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1c(C2CNCC2)cccc1.Cl
• Canonical SMILES: C1NCC(C1)c1ccccn1.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-2-5-11-9(3-1)8-4-6-10-7-8;/h1-3,5,8,10H,4,6-7H2;1H
• InChIKey: BRGMUTQBWJJNDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-3-yl)pyridine hydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-3-yl)pyridine hydrochloride
• Synonyms: 2-Tetrahydro-1H-pyrrol-3-ylpyridine hydrochloride

Database IDs

• CAS Number: 150281-45-1
• MDL Number: MFCD01862539
• PubChem SID: 162047870
• PubChem CID: 45925977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5408986
• LogD (pH = 7.4): -2.2377913
• Log P: 0.70186025
• Molar Refractivity: 44.1692 cm^3
• Polarizability: 17.527224 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+%