4-bromo-3,5-dimethylpyridine hydrochloride

• ChemBase ID: 88289
• Molecular Formular: C7H9BrClN
• Molecular Mass: 222.51006
• Monoisotopic Mass: 220.96068897
• SMILES: n1cc(c(c(c1)C)Br)C.Cl
• Canonical SMILES: Cc1cncc(c1Br)C.Cl
• InChI: InChI=1S/C7H8BrN.ClH/c1-5-3-9-4-6(2)7(5)8;/h3-4H,1-2H3;1H
• InChIKey: AQVBKYCOAWEBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3,5-dimethylpyridine hydrochloride
• IUPAC Traditional name: 4-bromo-3,5-dimethylpyridine hydrochloride
• Synonyms: 4-Bromo-3,5-dimethylpyridine hydrochloride

Database IDs

• CAS Number: 201286-65-9
• MDL Number: MFCD12922840
• PubChem SID: 162075266
• PubChem CID: 51341983

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4221747
• LogD (pH = 7.4): 2.5492048
• Log P: 2.5511687
• Molar Refractivity: 41.6063 cm^3
• Polarizability: 15.75748 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon