6-chloro-N-(propan-2-yl)pyridin-2-amine

• ChemBase ID: 49359
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(NC(C)C)cccc1Cl
• Canonical SMILES: CC(Nc1cccc(n1)Cl)C
• InChI: InChI=1S/C8H11ClN2/c1-6(2)10-8-5-3-4-7(9)11-8/h3-6H,1-2H3,(H,10,11)
• InChIKey: MXLUWILNJVZECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(propan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-isopropylpyridin-2-amine
• Synonyms: 6-Chloro-N-isopropyl-2-pyridinamine

Database IDs

• MDL Number: MFCD00234439
• PubChem SID: 162054122
• PubChem CID: 53410301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.419756
• LogD (pH = 7.4): 2.4204056
• Log P: 2.420414
• Molar Refractivity: 49.4419 cm^3
• Polarizability: 18.023586 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