5-fluoro-6-methoxypyridin-3-amine

• ChemBase ID: 289061
• Molecular Formular: C6H7FN2O
• Molecular Mass: 142.1309832
• Monoisotopic Mass: 142.05424107
• SMILES: COc1c(F)cc(N)cn1
• Canonical SMILES: COc1ncc(cc1F)N
• InChI: InChI=1S/C6H7FN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
• InChIKey: CVMLVBYTEYUXOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-6-methoxypyridin-3-amine
• IUPAC Traditional name: 5-fluoro-6-methoxypyridin-3-amine
• Synonyms: 3-Amino-5-fluoro-6-methoxypyridine

Database IDs

• CAS Number: 886372-63-0
• MDL Number: MFCD07374960
• PubChem SID: 180674592
• PubChem CID: 45480351

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5061196
• LogD (pH = 7.4): 0.5061354
• Log P: 0.50613564
• Molar Refractivity: 35.5946 cm^3
• Polarizability: 12.845785 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%