2-methoxypyridine-3-carboximidamide

• ChemBase ID: 245338
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(C(=N)N)c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(=N)N
• InChI: InChI=1S/C7H9N3O/c1-11-7-5(6(8)9)3-2-4-10-7/h2-4H,1H3,(H3,8,9)
• InChIKey: UWQBQOMQJVTLBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridine-3-carboximidamide
• IUPAC Traditional name: 2-methoxypyridine-3-carboximidamide
• Synonyms: 2-methoxypyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD09933874
• PubChem SID: 164301248
• PubChem CID: 24695307

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2636862
• LogD (pH = 7.4): -1.3863627
• Log P: 0.11282813
• Molar Refractivity: 52.3503 cm^3
• Polarizability: 15.6559 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

Product Information

• Purity: 95%