6-chloro-N,N-diethylpyridin-2-amine

• ChemBase ID: 48674
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1c(N(CC)CC)cccc1Cl
• Canonical SMILES: CCN(c1cccc(n1)Cl)CC
• InChI: InChI=1S/C9H13ClN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
• InChIKey: VQNKGKIYJFALNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-diethylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-diethylpyridin-2-amine
• Synonyms: N-(6-Chloro-2-pyridinyl)-N,N-diethylamine

Database IDs

• MDL Number: MFCD13561949
• PubChem SID: 162053437
• PubChem CID: 53410753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9954562
• LogD (pH = 7.4): 2.9959068
• Log P: 2.9959126
• Molar Refractivity: 54.0065 cm^3
• Polarizability: 19.862144 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false