2-amino-N-(pyridin-2-yl)acetamide dihydrochloride

• ChemBase ID: 124438
• Molecular Formular: C7H11Cl2N3O
• Molecular Mass: 224.08774
• Monoisotopic Mass: 223.02791735
• SMILES: N(C(=O)CN)c1ncccc1.Cl.Cl
• Canonical SMILES: NCC(=O)Nc1ccccn1.Cl.Cl
• InChI: InChI=1S/C7H9N3O.2ClH/c8-5-7(11)10-6-3-1-2-4-9-6;;/h1-4H,5,8H2,(H,9,10,11);2*1H
• InChIKey: NOTFFHYXKCNVFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-2-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-(pyridin-2-yl)acetamide dihydrochloride
• Synonyms: 2-amino-N-(pyridin-2-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD15201124
• PubChem SID: 162218791
• PubChem CID: 51051996

CALCULATED PROPERTIES

• Acid pKa: 11.842647
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7087119
• LogD (pH = 7.4): -1.0139595
• Log P: -0.33638856
• Molar Refractivity: 42.4373 cm^3
• Polarizability: 15.843783 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.419

Product Information

• Purity: 95%
• Salt Data: 2 HCl