5-bromo-N-cyclopentylpyridin-2-amine

• ChemBase ID: 49564
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(NC2CCCC2)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)NC1CCCC1
• InChI: InChI=1S/C10H13BrN2/c11-8-5-6-10(12-7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,12,13)
• InChIKey: GODSMMHYDCNXOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclopentylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-cyclopentylpyridin-2-amine
• Synonyms: 5-Bromo-N-cyclopentyl-2-pyridinamine

Database IDs

• MDL Number: MFCD11118485
• PubChem SID: 162054327
• PubChem CID: 29045785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8675575
• LogD (pH = 7.4): 2.9451714
• Log P: 2.9462636
• Molar Refractivity: 58.4444 cm^3
• Polarizability: 21.818966 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