1-(pyridine-2-carbonyl)pyrrolidin-3-amine dihydrochloride

• ChemBase ID: 238903
• Molecular Formular: C10H15Cl2N3O
• Molecular Mass: 264.1516
• Monoisotopic Mass: 263.05921748
• SMILES: N1(C(=O)c2ncccc2)CC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(C1)C(=O)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H13N3O.2ClH/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9;;/h1-3,5,8H,4,6-7,11H2;2*1H
• InChIKey: ZYXJHLLCHNVRHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-2-carbonyl)pyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-(pyridine-2-carbonyl)pyrrolidin-3-amine dihydrochloride
• Synonyms: 1-(pyridine-2-carbonyl)pyrrolidin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD22378652
• PubChem SID: 164294813
• PubChem CID: 71756261

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3843398
• LogD (pH = 7.4): -2.353816
• Log P: -0.4093658
• Molar Refractivity: 52.9173 cm^3
• Polarizability: 20.434662 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.844

Product Information

• Purity: 95%