5-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1025718-91-5
Catalog: |
BB000894 |
Product Name: |
5-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1025718-91-5 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarboxylic acid methyl ester; methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
IUPAC Name: | methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
Description: | 5-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1025718-91-5) is a useful research chemical. |
Molecular Weight: | 263.10 |
Molecular Formula: | C13H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)OC |
InChI: | InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-15-8-10)11(16)17-5/h6-8H,1-5H3 |
InChI Key: | FJOJOCXHLGXEQA-UHFFFAOYSA-N |
MDL: | MFCD09027079 |
LogP: | 1.16740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019147782-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
AU-2019211382-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
EP-3743430-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
US-2020347071-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
BR-112020014516-A2 | AMINOPIRROLOTRIAZINS AS KINASE INHIBITORS | 20180126 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.1328882 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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