2,4-Dichloro-3-nitropyridine - CAS 5975-12-2
Catalog: |
BB030485 |
Product Name: |
2,4-Dichloro-3-nitropyridine |
CAS: |
5975-12-2 |
Synonyms: |
Pyridine, 2,4-dichloro-3-nitro- |
IUPAC Name: | 2,4-dichloro-3-nitropyridine |
Description: | 2,4-Dichloro-3-nitropyridine (CAS# 5975-12-2) is a reactant in the discovery of Imigliptin, a novel selective dipeptidyl peptidase IV (DPP-4) inhibitor used in the treatment of type 2 diabetes. |
Molecular Weight: | 192.99 |
Molecular Formula: | C5H2Cl2N2O2 |
Canonical SMILES: | C1=CN=C(C(=C1Cl)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H |
InChI Key: | RTXYIHGMYDJHEU-UHFFFAOYSA-N |
Boiling Point: | 285.7±35.0°C at 760 mmHg |
Melting Point: | 61.5-62°C |
Purity: | ≥95% |
Density: | 1.629±0.06 g/cm3 |
Appearance: | White to Orange to Green Powder to Crystal |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD09261088 |
LogP: | 2.81980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
WO-2021169990-A1 | Kras inhibitors for treating cancers | 20200224 |
US-2021122764-A1 | Small Molecule Inhibitors of KRAS G12C Mutant | 20191028 |
WO-2021086833-A1 | Small molecule inhibitors of kras g12c mutant | 20191028 |
WO-2021071919-A1 | Hck as a therapeutic target in myd88 mutated diseases | 20191008 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9493327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9493327 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Pyridines
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