5-isocyanato-2-methoxypyridine

• ChemBase ID: 800611
• Molecular Formular: C7H6N2O2
• Molecular Mass: 150.13474
• Monoisotopic Mass: 150.04292744
• SMILES: n1c(ccc(c1)N=C=O)OC
• Canonical SMILES: O=C=Nc1ccc(nc1)OC
• InChI: InChI=1S/C7H6N2O2/c1-11-7-3-2-6(4-8-7)9-5-10/h2-4H,1H3
• InChIKey: JWFJBXAKNZCOLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-isocyanato-2-methoxypyridine
• IUPAC Traditional name: 5-isocyanato-2-methoxypyridine
• Synonyms: 5-ISOCYANATO-2-METHOXYPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1018987
• LogD (pH = 7.4): 1.1019151
• Log P: 1.1019152
• Molar Refractivity: 39.7498 cm^3
• Polarizability: 14.310695 Å^3
• Polar Surface Area: 51.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%