7-Azaindole-3-boronic Acid Pinacol Ester - CAS 945256-29-1
Catalog: |
BB041407 |
Product Name: |
7-Azaindole-3-boronic Acid Pinacol Ester |
CAS: |
945256-29-1 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
Description: | 7-Azaindole-3-boronic Acid Pinacol Ester (CAS# 945256-29-1 ) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CNC3=C2C=CC=N3 |
InChI: | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-16-11-9(10)6-5-7-15-11/h5-8H,1-4H3,(H,15,16) |
InChI Key: | UDWFQODVYQOMET-UHFFFAOYSA-N |
Boiling Point: | 405.7 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.86210 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021064141-A1 | Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b | 20191002 |
WO-2020121263-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
CN-113195490-A | Triazolopyridin-3-one or salt thereof and pharmaceutical composition comprising same | 20181214 |
EP-3894408-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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