(5-methoxypyridin-3-yl)methanamine

• ChemBase ID: 814952
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(N)c1cncc(c1)OC
• Canonical SMILES: NCc1cncc(c1)OC
• InChI: InChI=1S/C7H10N2O/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,3,8H2,1H3
• InChIKey: HODRJLWIXVIVOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (5-methoxypyridin-3-yl)methanamine
• Synonyms: (5-methoxypyridin-3-yl)methanamine

Database IDs

• CAS Number: 1044919-31-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2037556
• LogD (pH = 7.4): -1.9543514
• Log P: -0.27632943
• Molar Refractivity: 38.8377 cm^3
• Polarizability: 15.309677 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%