5-(6-fluoropyridin-2-yl)pyridin-2-amine

• ChemBase ID: 796931
• Molecular Formular: C10H8FN3
• Molecular Mass: 189.1890232
• Monoisotopic Mass: 189.07022549
• SMILES: n1c(cccc1F)c1cnc(cc1)N
• Canonical SMILES: Nc1ccc(cn1)c1cccc(n1)F
• InChI: InChI=1S/C10H8FN3/c11-9-3-1-2-8(14-9)7-4-5-10(12)13-6-7/h1-6H,(H2,12,13)
• InChIKey: SOUPLOMHUSDVHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-fluoropyridin-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(6-fluoropyridin-2-yl)pyridin-2-amine
• Synonyms: 6-Fluoro-[2,3'-bipyridin]-6'-aMine

Database IDs

• CAS Number: 1177269-58-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3566059
• LogD (pH = 7.4): 1.8598354
• Log P: 1.8731408
• Molar Refractivity: 52.7534 cm^3
• Polarizability: 20.266333 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%