3-(2-Chloro-pyridin-3-yl)-acrylic acid ethyl ester - CAS 104830-08-2
Catalog: |
BB001491 |
Product Name: |
3-(2-Chloro-pyridin-3-yl)-acrylic acid ethyl ester |
CAS: |
104830-08-2 |
Synonyms: |
ethyl (E)-3-(2-chloropyridin-3-yl)prop-2-enoate |
IUPAC Name: | ethyl (E)-3-(2-chloropyridin-3-yl)prop-2-enoate |
Description: | 3-(2-Chloro-pyridin-3-yl)-acrylic acid ethyl ester (CAS# 104830-08-2) is a useful research chemical. |
Molecular Weight: | 211.64 |
Molecular Formula: | C10H10ClNO2 |
Canonical SMILES: | CCOC(=O)C=CC1=C(N=CC=C1)Cl |
InChI: | InChI=1S/C10H10ClNO2/c1-2-14-9(13)6-5-8-4-3-7-12-10(8)11/h3-7H,2H2,1H3/b6-5+ |
InChI Key: | AXJQCHYUAHBXAK-AATRIKPKSA-N |
Boiling Point: | 322.3 ℃ at 760 mmHg |
Melting Point: | 57.6-59.0 ℃ |
Purity: | 95 % |
Density: | 1.229 g/cm3 |
Appearance: | Black powder |
MDL: | MFCD05663505 |
LogP: | 2.31130 |
Publication Number | Title | Priority Date |
AU-2018339722-A1 | Compound having ERK kinase inhibitory activity and use thereof | 20170930 |
CA-3080623-A1 | Compound having erk kinase inhibitory activity and use thereof | 20170930 |
WO-2019062949-A1 | COMPOUND HAVING KINASE ERK INHIBITORY ACTIVITY AND USE THEREOF | 20170930 |
EP-3702354-A1 | Compound having erk kinase inhibitory activity and use thereof | 20170930 |
KR-20200078510-A | Compounds having ERK kinase inhibitory activity and uses thereof | 20170930 |
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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Pyridines
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