5-aminopyridine-2-carboximidamide hydrochloride

• ChemBase ID: 248473
• Molecular Formular: C6H9ClN4
• Molecular Mass: 172.61546
• Monoisotopic Mass: 172.05157399
• SMILES: n1c(C(=N)N)ccc(c1)N.Cl
• Canonical SMILES: Nc1ccc(nc1)C(=N)N.Cl
• InChI: InChI=1S/C6H8N4.ClH/c7-4-1-2-5(6(8)9)10-3-4;/h1-3H,7H2,(H3,8,9);1H
• InChIKey: HTILMVXEHVZPSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 5-aminopyridine-2-carboximidamide hydrochloride
• Synonyms: 5-aminopyridine-2-carboximidamide hydrochloride

Database IDs

• PubChem SID: 164304383
• PubChem CID: 71758508

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.178184
• LogD (pH = 7.4): -2.9297986
• Log P: -0.76703376
• Molar Refractivity: 49.902 cm^3
• Polarizability: 14.269825 Å^3
• Polar Surface Area: 88.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.64

Product Information

• Purity: 95%