5-(2-Pyrazinyl)isoxazole-3-carboxylic Acid - CAS 1375064-55-3
Catalog: |
BB008596 |
Product Name: |
5-(2-Pyrazinyl)isoxazole-3-carboxylic Acid |
CAS: |
1375064-55-3 |
Synonyms: |
5-(2-pyrazinyl)-3-isoxazolecarboxylic acid; 5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid |
Description: | 5-(2-Pyrazinyl)isoxazole-3-carboxylic Acid (CAS# 1375064-55-3 ) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CN=C(C=N1)C2=CC(=NO2)C(=O)O |
InChI: | InChI=1S/C8H5N3O3/c12-8(13)5-3-7(14-11-5)6-4-9-1-2-10-6/h1-4H,(H,12,13) |
InChI Key: | LGEIAXHZEBTDSN-UHFFFAOYSA-N |
LogP: | 0.82980 |
Publication Number | Title | Priority Date |
WO-2021069701-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2021069721-A1 | Atf6 modulators and uses thereof | 20191009 |
US-2019330198-A1 | Compounds and uses thereof | 20180425 |
WO-2019209962-A1 | Compounds and uses thereof | 20180425 |
CN-112566636-A | Compound and use thereof | 20180425 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03309103 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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