5-chloro-2-methylpyridin-4-amine

• ChemBase ID: 293524
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Cc1ncc(Cl)c(N)c1
• Canonical SMILES: Cc1ncc(c(c1)N)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: DTAKYMBVGQAQGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methylpyridin-4-amine
• IUPAC Traditional name: 5-chloro-2-methylpyridin-4-amine
• Synonyms: 5-Chloro-2-methylpyridin-4-amine; 5-CHLORO-2-METHYL-PYRIDIN-4-YLAMINE

Database IDs

• CAS Number: 97944-44-0
• MDL Number: MFCD00151807
• PubChem SID: 180679055
• PubChem CID: 13419577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.74010277
• LogD (pH = 7.4): 0.11721457
• Log P: 0.6620623
• Molar Refractivity: 37.9978 cm^3
• Polarizability: 14.225752 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%