3-(6-Chloro-pyridin-3-yl)-acrylic acid ethyl ester - CAS 159153-39-6
Catalog: |
BB011500 |
Product Name: |
3-(6-Chloro-pyridin-3-yl)-acrylic acid ethyl ester |
CAS: |
159153-39-6 |
Synonyms: |
ethyl (E)-3-(6-chloropyridin-3-yl)prop-2-enoate |
IUPAC Name: | ethyl (E)-3-(6-chloropyridin-3-yl)prop-2-enoate |
Description: | 3-(6-Chloro-pyridin-3-yl)-acrylic acid ethyl ester (CAS# 159153-39-6) is a useful research chemical. |
Molecular Weight: | 211.64 |
Molecular Formula: | C10H10ClNO2 |
Canonical SMILES: | CCOC(=O)C=CC1=CN=C(C=C1)Cl |
InChI: | InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3/b6-4+ |
InChI Key: | FHRIBCCVJCCJCZ-GQCTYLIASA-N |
Boiling Point: | 325.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.229 g/cm3 |
MDL: | MFCD04039877 |
LogP: | 2.31130 |
Publication Number | Title | Priority Date |
EP-3532458-A1 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20161025 |
JP-2019532110-A | Benzylaminopyridylcyclopropanecarboxylic acid, pharmaceutical composition and use thereof | 20161025 |
US-10538490-B2 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20161025 |
US-2019241521-A1 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20161025 |
WO-2018077699-A1 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20161025 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 211.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0400063 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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