2,4-Difluoro-3-nitropyridine - CAS 60186-14-3
Catalog: |
BB067767 |
Product Name: |
2,4-Difluoro-3-nitropyridine |
CAS: |
60186-14-3 |
Synonyms: |
2,4-difluoro-3-nitropyridine; Pyridine, 2,4-difluoro-3-nitro-; 4-difluoro-3-nitropyridine |
IUPAC Name: | 2,4-difluoro-3-nitropyridine |
Description: | 2,4-Difluoro-3-nitropyridine is a reactant that has been used in the preparation of AMP579, a novel adenosine A1/A2 receptor agonist. |
Molecular Weight: | 160.08 |
Molecular Formula: | C5H2F2N2O2 |
Canonical SMILES: | C1=CN=C(C(=C1F)[N+](=O)[O-])F |
InChI: | InChI=1S/C5H2F2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H |
InChI Key: | BEWIQKYGRIAYST-UHFFFAOYSA-N |
References: | Sledeski, A.W., et. al. J. Org. Chem., 65, 8114 (2000). |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.00843363 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.00843363 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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