4-fluoropyridin-2-amine

• ChemBase ID: 51702
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1(cc(ccn1)F)N
• Canonical SMILES: Fc1ccnc(c1)N
• InChI: InChI=1S/C5H5FN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
• InChIKey: WCCFLOQQACDOAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridin-2-amine
• IUPAC Traditional name: 4-fluoropyridin-2-amine
• Synonyms: 4-Fluoropyridin-2-amine; 2-Amino-4-fluoropyridine

Database IDs

• CAS Number: 944401-77-8
• MDL Number: MFCD09260906
• PubChem SID: 162056465
• PubChem CID: 18327808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.16920756
• LogD (pH = 7.4): 0.62620384
• Log P: 0.6638069
• Molar Refractivity: 29.1314 cm^3
• Polarizability: 10.281026 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%