[1,2,4]Triazolo[1,5-a]pyridine-6-boronic Acid Pinacol Ester - CAS 1160790-18-0
Catalog: |
BB003705 |
Product Name: |
[1,2,4]Triazolo[1,5-a]pyridine-6-boronic Acid Pinacol Ester |
CAS: |
1160790-18-0 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine |
Description: | [1,2,4]Triazolo[1,5-a]pyridine-6-boronic Acid Pinacol Ester (CAS# 1160790-18-0) is a useful research chemical. |
Molecular Weight: | 245.09 |
Molecular Formula: | C12H16N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=NC=N3)C=C2 |
InChI: | InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-10-14-8-15-16(10)7-9/h5-8H,1-4H3 |
InChI Key: | QXPSJGKDBGYOEX-UHFFFAOYSA-N |
Melting Point: | 109-114 °C |
Purity: | 95 % |
Storage: | 2-8 °C |
LogP: | 1.02850 |
GHS Hazard Statement: | H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P312, P322, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112694477-A | Pyrazolo ring compound, pharmaceutical composition containing same, preparation method and application thereof | 20191022 |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
KR-20210080461-A | Substituted Indole and Indazole Compounds | 20181024 |
KR-20200096941-A | Heterocycle-substituted pyridine derivatives antifungal agents | 20171207 |
US-2021163461-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20171207 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1335569 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1335569 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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