B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid - CAS 1414973-10-6
Catalog: |
BB060998 |
Product Name: |
B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid |
CAS: |
1414973-10-6 |
Synonyms: |
(2-(hydroxymethyl)pyridin-4-yl)boronic acid; 2-(Hydroxymethyl)pyridine-4-boronic acid; [2-(hydroxymethyl)pyridin-4-yl]boronic acid; B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid |
IUPAC Name: | [2-(hydroxymethyl)pyridin-4-yl]boronic acid |
Description: | B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid was used in preparation of amidopyrazole inhibitors of interleukin receptor-assocd. kinases which are useful in treating proliferative disorders and cancer. |
Molecular Weight: | 152.94 |
Molecular Formula: | C6H8BNO3 |
Canonical SMILES: | B(C1=CC(=NC=C1)CO)(O)O |
InChI: | InChI=1S/C6H8BNO3/c9-4-6-3-5(7(10)11)1-2-8-6/h1-3,9-11H,4H2 |
InChI Key: | CPVLWUOMTZOQIX-UHFFFAOYSA-N |
References: | Mcelroy, W., et al. PCT Int. Appl. (2012), WO 2012129258 A1 20120927. |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0597233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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