7-fluoro-3-methylquinolin-2-amine

• ChemBase ID: 99519
• Molecular Formular: C10H9FN2
• Molecular Mass: 176.1902632
• Monoisotopic Mass: 176.07497652
• SMILES: n1c(c(cc2ccc(cc12)F)C)N
• Canonical SMILES: Fc1ccc2c(c1)nc(c(c2)C)N
• InChI: InChI=1S/C10H9FN2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
• InChIKey: IOZNKRVVQIJHSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3-methylquinolin-2-amine
• IUPAC Traditional name: 7-fluoro-3-methylquinolin-2-amine
• Synonyms: 2-Amino-7-fluoro-3-methylquinoline

Database IDs

• CAS Number: 203506-29-0
• MDL Number: MFCD00272513
• PubChem SID: 162085782
• PubChem CID: 17039637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9590302
• LogD (pH = 7.4): 2.5361965
• Log P: 2.5525553
• Molar Refractivity: 50.2508 cm^3
• Polarizability: 19.487257 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%