3-Cyano-4-pyridineboronic Acid - CAS 874290-89-8
Catalog: |
BB038450 |
Product Name: |
3-Cyano-4-pyridineboronic Acid |
CAS: |
874290-89-8 |
Synonyms: |
(3-cyano-4-pyridinyl)boronic acid; (3-cyanopyridin-4-yl)boronic acid |
IUPAC Name: | (3-cyanopyridin-4-yl)boronic acid |
Description: | 3-Cyano-4-pyridineboronic Acid (CAS# 874290-89-8) is a useful research chemical compound. |
Molecular Weight: | 147.93 |
Molecular Formula: | C6H5N2O2B |
Canonical SMILES: | B(C1=C(C=NC=C1)C#N)(O)O |
InChI: | InChI=1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H |
InChI Key: | BIFLCXDWWOPWRD-UHFFFAOYSA-N |
Boiling Point: | 407.9 ℃ at 760 mmHg |
Density: | 1.34 g/cm3 |
LogP: | -1.36692 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2014024838-A | A hypoglycemic agent containing a condensed heterocyclic compound as an active ingredient | 20120621 |
AU-2012357067-B2 | Novel dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20111222 |
CA-2859578-A1 | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders. | 20111222 |
CA-2859578-C | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders. | 20111222 |
EP-2794604-A1 | Novel dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20111222 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.0444076 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.0444076 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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