2-chloro-5-ethylpyridine hydrochloride

• ChemBase ID: 292835
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: Cl.CCc1cnc(Cl)cc1
• Canonical SMILES: CCc1ccc(nc1)Cl.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c1-2-6-3-4-7(8)9-5-6;/h3-5H,2H2,1H3;1H
• InChIKey: UJJZNUYMODKLMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethylpyridine hydrochloride
• IUPAC Traditional name: 2-chloro-5-ethylpyridine hydrochloride
• Synonyms: 2-Chloro-5-ethylpyridine hydrochloride

Database IDs

• CAS Number: 104801-39-0
• PubChem SID: 180678366
• PubChem CID: 70700968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5377433
• LogD (pH = 7.4): 2.5377848
• Log P: 2.5377853
• Molar Refractivity: 39.4094 cm^3
• Polarizability: 14.957609 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%