B-(2,3-Dihydro-2-oxo-1h-pyrrolo[2,3-b]pyridin-5-yl)-boronic acid - CAS 1111637-70-7
Catalog: |
BB066485 |
Product Name: |
B-(2,3-Dihydro-2-oxo-1h-pyrrolo[2,3-b]pyridin-5-yl)-boronic acid |
CAS: |
1111637-70-7 |
Synonyms: |
(2-Oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)boronic acid; 2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YLBORONIC ACID; (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)boronic acid; {2-oxo-1h,2h,3h-pyrrolo[2,3-b]pyridin-5-yl}boronic acid; 2-Oxo-2,3-dihydro-1H-pyrrolo-[2,3-b]pyridin-5-ylboronic acid; B-(2,3-DIHYDRO-2-OXO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-BORONIC ACID |
IUPAC Name: | (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)boronic acid |
Description: | B-(2,3-Dihydro-2-oxo-1h-pyrrolo[2,3-b]pyridin-5-yl)-boronic acid |
Molecular Weight: | 177.95 |
Molecular Formula: | C7H7BN2O3 |
Canonical SMILES: | B(C1=CC2=C(NC(=O)C2)N=C1)(O)O |
InChI: | InChI=1S/C7H7BN2O3/c11-6-2-4-1-5(8(12)13)3-9-7(4)10-6/h1,3,12-13H,2H2,(H,9,10,11) |
InChI Key: | AUXRTOOHRROMLP-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0549723 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0549723 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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