2-chloro-N-ethylpyridin-4-amine

• ChemBase ID: 267066
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1c(nccc1NCC)Cl
• Canonical SMILES: CCNc1ccnc(c1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-2-9-6-3-4-10-7(8)5-6/h3-5H,2H2,1H3,(H,9,10)
• InChIKey: PBKJUFLUKBLLGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethylpyridin-4-amine
• IUPAC Traditional name: 2-chloro-N-ethylpyridin-4-amine
• Synonyms: 2-chloro-N-ethylpyridin-4-amine

Database IDs

• MDL Number: MFCD16547534
• PubChem SID: 164322976
• PubChem CID: 47002920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3190707
• LogD (pH = 7.4): 1.4081097
• Log P: 1.4093813
• Molar Refractivity: 44.7096 cm^3
• Polarizability: 16.18231 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.489

Product Information

• Purity: 95%