Ethyl 2-Chloronicotinate - CAS 1452-94-4
Catalog: |
BB009918 |
Product Name: |
Ethyl 2-Chloronicotinate |
CAS: |
1452-94-4 |
Synonyms: |
2-chloro-3-pyridinecarboxylic acid ethyl ester; ethyl 2-chloropyridine-3-carboxylate |
IUPAC Name: | ethyl 2-chloropyridine-3-carboxylate |
Description: | Ethyl 2-Chloronicotinate (CAS# 1452-94-4) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=CC=C1)Cl |
InChI: | InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3 |
InChI Key: | PMIMPBYTPPRBGD-UHFFFAOYSA-N |
Boiling Point: | 78 °C (0.1 mmHg) |
Density: | 1.245 g/cm3 |
MDL: | MFCD00674129 |
LogP: | 1.91170 |
GHS Hazard Statement: | H315 (17.02%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
WO-2020243027-A1 | Compounds, compositions, and methods of use | 20190524 |
WO-2020176403-A1 | Inhibitor of btk and mutants thereof | 20190225 |
CN-110615732-A | Compound and composition for forming organic film | 20180620 |
EP-3584240-A1 | Compound and composition for forming organic film | 20180620 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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