3-Bromo-5-fluoro-2-nitro-pyridine - CAS 1258544-91-0
Catalog: |
BB070851 |
Product Name: |
3-Bromo-5-fluoro-2-nitro-pyridine |
CAS: |
1258544-91-0 |
Synonyms: |
3-bromo-5-fluoro-2-nitropyridine |
IUPAC Name: | 3-bromo-5-fluoro-2-nitropyridine |
Description: | 3-Bromo-5-fluoro-2-nitro-pyridine is a useful research chemical compound used in the preparation of bicyclic and tricyclic compounds as KAT II inhibitors for treating cognitive and other disorders. |
Molecular Weight: | 220.98 |
Molecular Formula: | C5H2N2O2FBr |
Canonical SMILES: | C1=C(C=NC(=C1Br)[N+](=O)[O-])F |
InChI: | InChI=1S/C5H2BrFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H |
InChI Key: | CUABRVCGKZGKNT-UHFFFAOYSA-N |
References: | Claffey, M. M., et al. PCT Int. Appl. WO 2010146488, 149, (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.92837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92837 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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