2-Bromo-5-chloro-3-nitropyridine - CAS 75806-86-9
Catalog: |
BB035405 |
Product Name: |
2-Bromo-5-chloro-3-nitropyridine |
CAS: |
75806-86-9 |
Synonyms: |
2-bromo-5-chloro-3-nitropyridine |
IUPAC Name: | 2-bromo-5-chloro-3-nitropyridine |
Description: | 2-Bromo-5-chloro-3-nitropyridine (CAS# 75806-86-9) is a useful research chemical. |
Molecular Weight: | 237.44 |
Molecular Formula: | C5H2BrClN2O2 |
Canonical SMILES: | C1=C(C(=NC=C1Cl)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H |
InChI Key: | VFMIDVIAQMFGGP-UHFFFAOYSA-N |
Boiling Point: | 250.3 °C at 760 mmHg |
Melting Point: | 75-78 °C |
Purity: | 95 % |
Density: | 1.936 g/cm3 |
MDL: | MFCD07368982 |
LogP: | 2.92890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021122764-A1 | Small Molecule Inhibitors of KRAS G12C Mutant | 20191028 |
WO-2021086833-A1 | Small molecule inhibitors of kras g12c mutant | 20191028 |
WO-2020198266-A1 | Small molecule inhibitors of galectin-3 | 20190326 |
WO-2019067702-A1 | INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3 | 20170927 |
WO-2019067702-A9 | INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3 | 20170927 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.89882 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.89882 |
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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