2-Cyclopropylpyridine-4-boronic Acid - CAS 1189546-00-6
Catalog: |
BB004355 |
Product Name: |
2-Cyclopropylpyridine-4-boronic Acid |
CAS: |
1189546-00-6 |
Synonyms: |
(2-cyclopropyl-4-pyridinyl)boronic acid; (2-cyclopropylpyridin-4-yl)boronic acid |
IUPAC Name: | (2-cyclopropylpyridin-4-yl)boronic acid |
Description: | B-(2-Cyclopropyl-4-pyridinyl)-boronic Acid Hydrochloride, can be used in synthesis of isoindole carboxamides, pyrrolopyridine carboxamides, and similar compounds as inhibitors of phosphodiesterase type 10A for treating neurological and psychiatric disorders. |
Molecular Weight: | 162.98 |
Molecular Formula: | C8H10NO2B |
Canonical SMILES: | B(C1=CC(=NC=C1)C2CC2)(O)O |
InChI: | InChI=1S/C8H10BNO2/c11-9(12)7-3-4-10-8(5-7)6-1-2-6/h3-6,11-12H,1-2H2 |
InChI Key: | WQQUGBNQCWPZKN-UHFFFAOYSA-N |
LogP: | -0.36120 |
Publication Number | Title | Priority Date |
US-2019359634-A1 | Ask1 inhibiting agents | 20170207 |
AU-2015348941-A1 | Substituted bridged urea analogs as Sirtuin Modulators | 20141119 |
EP-3221316-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
JP-2017534663-A | Substituted bridged urea analogs as sirtuin regulators | 20141119 |
US-2017355705-A1 | Substituted bridged urea analogs as sirtuin modulators | 20141119 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0804587 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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