6-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester - CAS 957065-99-5
Catalog: |
BB041817 |
Product Name: |
6-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
957065-99-5 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxylic acid methyl ester; methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate |
IUPAC Name: | methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate |
Description: | 6-(Methoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 957065-99-5) is a useful research chemical. |
Molecular Weight: | 263.10 |
Molecular Formula: | C13H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)OC |
InChI: | InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5/h6-8H,1-5H3 |
InChI Key: | IXKFGVRURWXXKX-UHFFFAOYSA-N |
Boiling Point: | 383.9 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
MDL: | MFCD08063051 |
LogP: | 1.16740 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-111848601-A | Compound containing condensed ring, application thereof and pharmaceutical composition containing compound | 20190430 |
WO-2020221074-A1 | Compound containing fused ring, use thereof and pharmaceutical composition containing same | 20190430 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2020119819-A1 | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
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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