2-Ethylpyridine-4-boronic Acid Pinacol Ester - CAS 741709-60-4
Catalog: |
BB035004 |
Product Name: |
2-Ethylpyridine-4-boronic Acid Pinacol Ester |
CAS: |
741709-60-4 |
Synonyms: |
2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Ethylpyridine-4-boronic Acid Pinacol Ester (CAS# 741709-60-4) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CC |
InChI: | InChI=1S/C13H20BNO2/c1-6-11-9-10(7-8-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3 |
InChI Key: | YYJPHWDHDLLAJH-UHFFFAOYSA-N |
MDL: | MFCD09952046 |
LogP: | 1.94320 |
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 |
US-10392376-B2 | Heterocyclic inhibitors of ATR kinase | 20170713 |
US-2019016713-A1 | Heterocyclic inhibitors of atr kinase | 20170713 |
US-2020102296-A1 | Heterocyclic inhibitors of atr kinase | 20170713 |
US-10800769-B2 | Heterocyclic inhibitors of ATR kinase | 20170713 |
US-2021047311-A1 | Heterocyclic inhibitors of atr kinase | 20170713 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.1587090 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.1587090 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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