(2,6-dichloropyridin-4-yl)methyl N,N-dimethylcarbamate

• ChemBase ID: 84293
• Molecular Formular: C9H10Cl2N2O2
• Molecular Mass: 249.0939
• Monoisotopic Mass: 248.01193293
• SMILES: n1c(cc(cc1Cl)COC(=O)N(C)C)Cl
• Canonical SMILES: CN(C(=O)OCc1cc(Cl)nc(c1)Cl)C
• InChI: InChI=1S/C9H10Cl2N2O2/c1-13(2)9(14)15-5-6-3-7(10)12-8(11)4-6/h3-4H,5H2,1-2H3
• InChIKey: MKRWDNUAFVKQDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dichloropyridin-4-yl)methyl N,N-dimethylcarbamate
• IUPAC Traditional name: (2,6-dichloropyridin-4-yl)methyl N,N-dimethylcarbamate
• Synonyms: (2,6-Dichloropyridin-4-yl)methyl N,N-dimethylcarbamate

Database IDs

• MDL Number: MFCD00125018
• PubChem SID: 162071409
• PubChem CID: 2781831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1915994
• LogD (pH = 7.4): 2.1915994
• Log P: 2.1915994
• Molar Refractivity: 60.0708 cm^3
• Polarizability: 22.692743 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-86°C

Safety Information

• Storage Warning: Harmful