5-chloro-N-methylpyridin-2-amine

• ChemBase ID: 164393
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(cnc(cc1)NC)Cl
• Canonical SMILES: CNc1ccc(cn1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
• InChIKey: KSISYWKRGRATSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-chloro-N-methylpyridin-2-amine
• Synonyms: 5-Chloro-N-methylpyridin-2-amine; 5-Chloro-2-methylaminopyridine; 5-Chloro-2-(methylamino)pyridine; 5-Chloro-N-methyl-2-pyridineamine; 5-chloro-N-methylpyridin-2-amine

Database IDs

• CAS Number: 4214-80-6
• MDL Number: MFCD00955783
• PubChem SID: 162258528
• PubChem CID: 3837024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3712611
• LogD (pH = 7.4): 1.4261043
• Log P: 1.4268538
• Molar Refractivity: 39.2132 cm^3
• Polarizability: 14.291847 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.96

Product Information

• Purity: 95%; 98%

DETAILS

Toronto Research Chemicals - C369060

5-Chloro-2-methylaminopyridine is used in the preparation of aminosulfuranes with N-heterocyclic groups.

REFERENCES

• Pashinnik, V.E. et al.: Ukr. Khim. Zhur., 73, 45 (2007)