5-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide

• ChemBase ID: 275224
• Molecular Formular: C12H15BrN2O
• Molecular Mass: 283.1643
• Monoisotopic Mass: 282.03677511
• SMILES: C(=O)(NC1(C)CCCC1)c1ncc(cc1)Br
• Canonical SMILES: Brc1ccc(nc1)C(=O)NC1(C)CCCC1
• InChI: InChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)15-11(16)10-5-4-9(13)8-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
• InChIKey: CVVVIQKTCPLSNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
• Synonyms: 5-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide

Database IDs

• MDL Number: MFCD17259549
• PubChem SID: 164331134
• PubChem CID: 54593586

CALCULATED PROPERTIES

• Acid pKa: 14.625952
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.619771
• LogD (pH = 7.4): 2.6197712
• Log P: 2.6197712
• Molar Refractivity: 66.1784 cm^3
• Polarizability: 25.408396 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.391

Product Information

• Purity: 95%