6-methoxypyridine-3-carboximidamide hydrochloride

• ChemBase ID: 71015
• Molecular Formular: C7H10ClN3O
• Molecular Mass: 187.6268
• Monoisotopic Mass: 187.05123964
• SMILES: C(=N)(c1ccc(nc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cn1)C(=N)N.Cl
• InChI: InChI=1S/C7H9N3O.ClH/c1-11-6-3-2-5(4-10-6)7(8)9;/h2-4H,1H3,(H3,8,9);1H
• InChIKey: ZADOHHNYDKHRML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-3-carboximidamide hydrochloride
• IUPAC Traditional name: 6-methoxypyridine-3-carboximidamide hydrochloride
• Synonyms: 6-Methoxynicotinimidamide hydrochloride; 6-methoxypyridine-3-carboximidamide hydrochloride

Database IDs

• CAS Number: 201937-22-6
• MDL Number: MFCD08234869
• PubChem SID: 162036721
• PubChem CID: 45791561

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3016386
• LogD (pH = 7.4): -2.2301884
• Log P: 0.11282813
• Molar Refractivity: 52.3503 cm^3
• Polarizability: 15.653595 Å^3
• Polar Surface Area: 71.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.481

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%