5-Bromo-3-nitropyridine-2-carboxylic Acid - CAS 954240-89-2
Catalog: |
BB041719 |
Product Name: |
5-Bromo-3-nitropyridine-2-carboxylic Acid |
CAS: |
954240-89-2 |
Synonyms: |
5-bromo-3-nitro-2-pyridinecarboxylic acid; 5-bromo-3-nitropyridine-2-carboxylic acid |
IUPAC Name: | 5-bromo-3-nitropyridine-2-carboxylic acid |
Description: | 5-Bromo-3-nitropyridine-2-carboxylic Acid (CAS# 954240-89-2) is a useful research chemical. |
Molecular Weight: | 247.00 |
Molecular Formula: | C6H3BrN2O4 |
Canonical SMILES: | C1=C(C(=NC=C1Br)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C6H3BrN2O4/c7-3-1-4(9(12)13)5(6(10)11)8-2-3/h1-2H,(H,10,11) |
InChI Key: | NLHXGZDQNSRWHH-UHFFFAOYSA-N |
Boiling Point: | 375.6 ℃ at 760 mmHg |
Density: | 2.004 g/cm3 |
MDL: | MFCD08061307 |
LogP: | 1.97370 |
Publication Number | Title | Priority Date |
AU-2016371387-A1 | Tricyclic compounds and compositions as kinase inhibitors | 20151218 |
AU-2016371387-B2 | Tricyclic compounds and compositions as kinase inhibitors | 20151218 |
CA-3008098-A1 | Tricyclic compounds and compositions as kinase inhibitors | 20151218 |
EP-3390404-A1 | Tricyclic compounds and compositions as kinase inhibitors | 20151218 |
JP-2018537508-A | Tricyclic compounds and compositions as kinase inhibitors | 20151218 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.92762 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.92762 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 96 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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