6-chloro-4-methylpyridin-3-amine

• ChemBase ID: 52712
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1c(ncc(c1C)N)Cl
• Canonical SMILES: Clc1ncc(c(c1)C)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3
• InChIKey: PLSMBLIGZJWLEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-methylpyridin-3-amine
• IUPAC Traditional name: 6-chloro-4-methylpyridin-3-amine
• Synonyms: 6-Chloro-4-methylpyridin-3-amine; 6-Chloro-4-methylpyridin-3-amine; 5-Amino-2-chloro-4-picoline; 5-Amino-2-chloro-4-methylpyridine

Database IDs

• CAS Number: 66909-38-4
• MDL Number: MFCD03427661
• PubChem SID: 162057475
• PubChem CID: 2734425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2640392
• LogD (pH = 7.4): 1.2642875
• Log P: 1.2642907
• Molar Refractivity: 39.5088 cm^3
• Polarizability: 14.263409 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-73°C
• Hydrophobicity(logP): 1.603

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%