5-Bromopyridine-2,3-dicarboxylic Acid - CAS 98555-51-2
Catalog: |
BB042188 |
Product Name: |
5-Bromopyridine-2,3-dicarboxylic Acid |
CAS: |
98555-51-2 |
Synonyms: |
5-bromopyridine-2,3-dicarboxylic acid; 5-bromopyridine-2,3-dicarboxylic acid |
IUPAC Name: | 5-bromopyridine-2,3-dicarboxylic acid |
Description: | 5-Bromopyridine-2,3-dicarboxylic Acid (CAS# 98555-51-2) is a useful research chemical. |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=C(C(=NC=C1Br)C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)5(7(12)13)9-2-3/h1-2H,(H,10,11)(H,12,13) |
InChI Key: | WDDREAGLVSBXOG-UHFFFAOYSA-N |
Boiling Point: | 434.687 ℃ at 760 mmHg |
Density: | 1.985 g/cm3 |
MDL: | MFCD07364745 |
LogP: | 1.41730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112430332-A | Nickel complex constructed by 5-bromopyridine-2, 3-dicarboxylic acid and 1, 10-phenanthroline and preparation method thereof | 20201028 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
CN-109021031-A | 5- bromopyridine -2,3- dicarboxylic acids nickel complex and preparation method thereof | 20180913 |
WO-2019118612-A1 | Targeting compounds | 20171212 |
CN-109265443-A | Heterocyclic compounds as ASK inhibitors and their applications | 20170718 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.93237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.93237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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