N-benzyl-3-chloropyridin-2-amine

• ChemBase ID: 270020
• Molecular Formular: C12H11ClN2
• Molecular Mass: 218.68214
• Monoisotopic Mass: 218.06107604
• SMILES: c1(NCc2ccccc2)ncccc1Cl
• Canonical SMILES: Clc1cccnc1NCc1ccccc1
• InChI: InChI=1S/C12H11ClN2/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
• InChIKey: MFZQCGYYWRVGRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-chloropyridin-2-amine
• IUPAC Traditional name: N-benzyl-3-chloropyridin-2-amine
• Synonyms: N-benzyl-3-chloropyridin-2-amine

Database IDs

• MDL Number: MFCD11121320
• PubChem SID: 164325930
• PubChem CID: 29299547

CALCULATED PROPERTIES

• Log P: 3.151327
• Molar Refractivity: 63.8258 cm^3
• Polarizability: 23.88449 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 17.698668
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0635135
• LogD (pH = 7.4): 3.1500943

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.408

Product Information

• Purity: 95%