6-chloro-N-ethylpyridin-2-amine

• ChemBase ID: 49241
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(NCC)cccc1Cl
• Canonical SMILES: CCNc1cccc(n1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-2-9-7-5-3-4-6(8)10-7/h3-5H,2H2,1H3,(H,9,10)
• InChIKey: AOQBIRDOCWHWQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-ethylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-ethylpyridin-2-amine
• Synonyms: 6-Chloro-N-ethyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13562345
• PubChem SID: 162054004
• PubChem CID: 20231584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0031307
• LogD (pH = 7.4): 2.00383
• Log P: 2.0038388
• Molar Refractivity: 45.0231 cm^3
• Polarizability: 16.186195 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false