2-N-(4-fluorophenyl)pyridine-2,3-diamine

• ChemBase ID: 50002
• Molecular Formular: C11H10FN3
• Molecular Mass: 203.2156032
• Monoisotopic Mass: 203.08587556
• SMILES: c1(Nc2ccc(F)cc2)ncccc1N
• Canonical SMILES: Fc1ccc(cc1)Nc1ncccc1N
• InChI: InChI=1S/C11H10FN3/c12-8-3-5-9(6-4-8)15-11-10(13)2-1-7-14-11/h1-7H,13H2,(H,14,15)
• InChIKey: KANSXBGVFUJMTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-(4-fluorophenyl)pyridine-2,3-diamine
• IUPAC Traditional name: 2-N-(4-fluorophenyl)pyridine-2,3-diamine
• Synonyms: N2-(4-Fluorophenyl)-2,3-pyridinediamine; 2-N-(4-fluorophenyl)pyridine-2,3-diamine

Database IDs

• MDL Number: MFCD11201955
• PubChem SID: 162054765
• PubChem CID: 12445405

CALCULATED PROPERTIES

• Acid pKa: 17.650171
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5732044
• LogD (pH = 7.4): 2.089758
• Log P: 2.1037326
• Molar Refractivity: 57.6176 cm^3
• Polarizability: 20.959429 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.017

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%