6-chloro-2-methylpyridin-3-amine

• ChemBase ID: 22417
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(ccc(n1)Cl)N)C
• Canonical SMILES: Clc1ccc(c(n1)C)N
• InChI: InChI=1S/C6H7ClN2/c1-4-5(8)2-3-6(7)9-4/h2-3H,8H2,1H3
• InChIKey: QVCIIOZINFCMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methylpyridin-3-amine
• IUPAC Traditional name: 6-chloro-2-methylpyridin-3-amine
• Synonyms: 5-Amino-2-chloro-6-methylpyridine; 3-Amino-6-chloro-2-picoline; 6-chloro-2-methylpyridin-3-amine

Database IDs

• CAS Number: 164666-68-6
• MDL Number: MFCD03095220
• PubChem SID: 160985724
• PubChem CID: 7009500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.88201123
• LogD (pH = 7.4): 0.8822366
• Log P: 0.88223946
• Molar Refractivity: 39.0591 cm^3
• Polarizability: 14.2648325 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%