2-chloro-5-fluoropyridin-4-amine

• ChemBase ID: 65702
• Molecular Formular: C5H4ClFN2
• Molecular Mass: 146.5500632
• Monoisotopic Mass: 146.00470404
• SMILES: c1c(c(cc(n1)Cl)N)F
• Canonical SMILES: Clc1ncc(c(c1)N)F
• InChI: InChI=1S/C5H4ClFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
• InChIKey: PANPPUXFOOUHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyridin-4-amine
• IUPAC Traditional name: 2-chloro-5-fluoropyridin-4-amine
• Synonyms: 2-Chloro-5-fluoro-4-pyridinamine; 4-Amino-2-chloro-5-fluoropyridine; 2-Chloro-5-fluoropyridin-4-amine; 2-CHLORO-5-FLUOROPYRIDIN-4-AMINE

Database IDs

• CAS Number: 89510-90-7
• MDL Number: MFCD16622225
• PubChem SID: 162031441
• PubChem CID: 22284035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8930935
• LogD (pH = 7.4): 0.8935652
• Log P: 0.8935712
• Molar Refractivity: 34.684 cm^3
• Polarizability: 12.302328 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%; 98%