5-Carboxypyridine-3-boronic Acid - CAS 913836-03-0
Catalog: |
BB040152 |
Product Name: |
5-Carboxypyridine-3-boronic Acid |
CAS: |
913836-03-0 |
Synonyms: |
5-borono-3-pyridinecarboxylic acid; 5-boronopyridine-3-carboxylic acid |
IUPAC Name: | 5-boronopyridine-3-carboxylic acid |
Description: | 5-Carboxypyridine-3-boronic Acid (CAS# 913836-03-0) is a useful research chemical. |
Molecular Weight: | 166.93 |
Molecular Formula: | C6H6NO4B |
Canonical SMILES: | B(C1=CC(=CN=C1)C(=O)O)(O)O |
InChI: | InChI=1S/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10) |
InChI Key: | XKDATYTUCBKUQZ-UHFFFAOYSA-N |
Boiling Point: | 486.3 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
Appearance: | White solid |
LogP: | -1.54040 |
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 |
EP-3580190-A1 | In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics) | 20170208 |
US-2019367537-A1 | In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics) | 20170208 |
WO-2018146116-A1 | In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics) | 20170208 |
EP-3580190-B1 | In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics) | 20170208 |
US-2021228748-A1 | In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics) | 20170208 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0389878 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0389878 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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