3-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

• ChemBase ID: 245922
• Molecular Formular: C10H13Cl2FN2
• Molecular Mass: 251.1280232
• Monoisotopic Mass: 250.04398201
• SMILES: C1(=CCNCC1)c1cc(F)cnc1.Cl.Cl
• Canonical SMILES: Fc1cncc(c1)C1=CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H11FN2.2ClH/c11-10-5-9(6-13-7-10)8-1-3-12-4-2-8;;/h1,5-7,12H,2-4H2;2*1H
• InChIKey: JAUPIGLKZCOXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144179
• PubChem SID: 164301832
• PubChem CID: 71757829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2815654
• LogD (pH = 7.4): -1.1903969
• Log P: 0.8924016
• Molar Refractivity: 50.2345 cm^3
• Polarizability: 18.917555 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.969

Product Information

• Purity: 95%