2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine hydrochloride

• ChemBase ID: 246001
• Molecular Formular: C10H12Cl2N2
• Molecular Mass: 231.12168
• Monoisotopic Mass: 230.03775375
• SMILES: n1c(ccc(C2=CCNCC2)c1)Cl.Cl
• Canonical SMILES: Clc1ccc(cn1)C1=CCNCC1.Cl
• InChI: InChI=1S/C10H11ClN2.ClH/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8;/h1-3,7,12H,4-6H2;1H
• InChIKey: KVXPXVSYONRARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine hydrochloride
• IUPAC Traditional name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine hydrochloride
• Synonyms: 2-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine hydrochloride

Database IDs

• MDL Number: MFCD23144196
• PubChem SID: 164301911
• PubChem CID: 71757853

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.6034887
• LogD (pH = 7.4): -0.5329033
• Log P: 1.5739214
• Molar Refractivity: 55.8842 cm^3
• Polarizability: 21.189539 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.539

Product Information

• Purity: 95%