5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylic Acid - CAS 1020569-99-6
Catalog: |
BB000763 |
Product Name: |
5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylic Acid |
CAS: |
1020569-99-6 |
Synonyms: |
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolecarboxylic acid; 5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole-4-carboxylic acid |
Description: | 5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylic Acid (CAS# 1020569-99-6 ) is a useful research chemical. |
Molecular Weight: | 299.11 |
Molecular Formula: | C12H8Cl2N2O3 |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=C(C=NC=C3Cl)Cl)C(=O)O |
InChI: | InChI=1S/C12H8Cl2N2O3/c13-6-3-15-4-7(14)8(6)10-9(12(17)18)11(19-16-10)5-1-2-5/h3-5H,1-2H2,(H,17,18) |
InChI Key: | MFDMGPSXATVIKT-UHFFFAOYSA-N |
LogP: | 3.61900 |
Publication Number | Title | Priority Date |
AU-2018360575-A1 | Alkene spirocyclic compounds as farnesoid X receptor modulators | 20171101 |
WO-2019089665-A1 | Alkene spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
BR-112020008121-A2 | spirocyclic alkene compounds as farnesoid x receptor modulators | 20171101 |
CN-111630051-A | Spirocyclic compounds of alkenes as farnesoid X receptor modulators | 20171101 |
EP-3704112-A1 | Alkene spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.9911975 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.9911975 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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