6-chloro-N-methylpyridin-2-amine

• ChemBase ID: 49216
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(NC)cccc1Cl
• Canonical SMILES: CNc1cccc(n1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-8-6-4-2-3-5(7)9-6/h2-4H,1H3,(H,8,9)
• InChIKey: VPGPNOQDNGMIKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-methylpyridin-2-amine
• Synonyms: 6-Chloro-N-methylpyridin-2-amine; 6-Chloro-N-methyl-2-pyridinamine

Database IDs

• CAS Number: 89026-78-8
• MDL Number: MFCD00234196
• PubChem SID: 162053979
• PubChem CID: 10290849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6462687
• LogD (pH = 7.4): 1.6470213
• Log P: 1.647031
• Molar Refractivity: 40.2745 cm^3
• Polarizability: 14.350869 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+%; 98%