6-chloro-N-(2-methoxyethyl)pyridin-2-amine

• ChemBase ID: 49513
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: n1c(NCCOC)cccc1Cl
• Canonical SMILES: COCCNc1cccc(n1)Cl
• InChI: InChI=1S/C8H11ClN2O/c1-12-6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11)
• InChIKey: UTZTZGHJJDBPHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(2-methoxyethyl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-(2-methoxyethyl)pyridin-2-amine
• Synonyms: 6-Chloro-N-(2-methoxyethyl)-2-pyridinamine

Database IDs

• MDL Number: MFCD13562509
• PubChem SID: 162054276
• PubChem CID: 53410268

CALCULATED PROPERTIES

• Acid pKa: 19.99199
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5993886
• LogD (pH = 7.4): 1.600047
• Log P: 1.6000553
• Molar Refractivity: 51.318 cm^3
• Polarizability: 18.740847 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false