5-(pyrrolidin-1-yl)pyridine-2-carboximidamide

• ChemBase ID: 239377
• Molecular Formular: C10H14N4
• Molecular Mass: 190.24496
• Monoisotopic Mass: 190.12184647
• SMILES: n1c(C(=N)N)ccc(N2CCCC2)c1
• Canonical SMILES: NC(=N)c1ccc(cn1)N1CCCC1
• InChI: InChI=1S/C10H14N4/c11-10(12)9-4-3-8(7-13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H3,11,12)
• InChIKey: XALFHLBRCMCJFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrrolidin-1-yl)pyridine-2-carboximidamide
• IUPAC Traditional name: 5-(pyrrolidin-1-yl)pyridine-2-carboximidamide
• Synonyms: 5-(pyrrolidin-1-yl)pyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD22578440
• PubChem SID: 164295287
• PubChem CID: 71756400

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8347338
• LogD (pH = 7.4): -1.5576025
• Log P: 0.57573354
• Molar Refractivity: 67.1712 cm^3
• Polarizability: 20.900291 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 0.501

Product Information

• Purity: 95%