5-(Methoxycarbonyl)pyridine-3-boronic Acid - CAS 871329-53-2
Catalog: |
BB038284 |
Product Name: |
5-(Methoxycarbonyl)pyridine-3-boronic Acid |
CAS: |
871329-53-2 |
Synonyms: |
(5-methoxycarbonyl-3-pyridinyl)boronic acid; (5-methoxycarbonylpyridin-3-yl)boronic acid |
IUPAC Name: | (5-methoxycarbonylpyridin-3-yl)boronic acid |
Description: | 5-(Methoxycarbonyl)pyridine-3-boronic Acid (CAS# 871329-53-2) is a useful research chemical. |
Molecular Weight: | 180.95 |
Molecular Formula: | C7H8NO4B |
Canonical SMILES: | B(C1=CC(=CN=C1)C(=O)OC)(O)O |
InChI: | InChI=1S/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3 |
InChI Key: | PGTWAVVFCNTGCS-UHFFFAOYSA-N |
Boiling Point: | 377.2 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | -1.45200 |
Publication Number | Title | Priority Date |
CN-112480116-A | PKB inhibitors | 20190911 |
US-2020239476-A1 | Gpr35 modulators | 20190124 |
WO-2020154492-A1 | Gpr35 modulators | 20190124 |
KR-20210119485-A | GPR35 modulators | 20190124 |
US-11053251-B2 | GPR35 modulators | 20190124 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0546379 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0546379 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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