5-Cyanopyridine-3-boronic Acid - CAS 497147-93-0
Catalog: |
BB026802 |
Product Name: |
5-Cyanopyridine-3-boronic Acid |
CAS: |
497147-93-0 |
Synonyms: |
(5-cyano-3-pyridinyl)boronic acid; (5-cyanopyridin-3-yl)boronic acid |
IUPAC Name: | (5-cyanopyridin-3-yl)boronic acid |
Description: | 5-Cyanopyridine-3-boronic Acid (CAS# 497147-93-0) is a useful research chemical. |
Molecular Weight: | 147.93 |
Molecular Formula: | C6H5N2O2B |
Canonical SMILES: | B(C1=CC(=CN=C1)C#N)(O)O |
InChI: | InChI=1S/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H |
InChI Key: | CYEXXDYQJPRMIQ-UHFFFAOYSA-N |
Boiling Point: | 375.9 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD07374882 |
LogP: | -1.36692 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461666-A | Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof | 20210506 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
WO-2021099837-A1 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021099838-A1 | Adenosine receptor antagonist compounds | 20191119 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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