5-bromo-N-cyclopentyl-3-methylpyridin-2-amine

• ChemBase ID: 49563
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: c1(ncc(cc1C)Br)NC1CCCC1
• Canonical SMILES: Brc1cnc(c(c1)C)NC1CCCC1
• InChI: InChI=1S/C11H15BrN2/c1-8-6-9(12)7-13-11(8)14-10-4-2-3-5-10/h6-7,10H,2-5H2,1H3,(H,13,14)
• InChIKey: KPHMNDOUIHBQCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclopentyl-3-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-cyclopentyl-3-methylpyridin-2-amine
• Synonyms: 5-Bromo-N-cyclopentyl-3-methyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13562542
• PubChem SID: 162054326
• PubChem CID: 53410239

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.264878
• LogD (pH = 7.4): 3.4565425
• Log P: 3.4596848
• Molar Refractivity: 63.4856 cm^3
• Polarizability: 23.569372 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