Ethyl 4-Chloropyridine-2-carboxylate - CAS 64064-56-8
Catalog: |
BB032360 |
Product Name: |
Ethyl 4-Chloropyridine-2-carboxylate |
CAS: |
64064-56-8 |
Synonyms: |
4-chloro-2-pyridinecarboxylic acid ethyl ester; ethyl 4-chloropyridine-2-carboxylate |
IUPAC Name: | ethyl 4-chloropyridine-2-carboxylate |
Description: | Ethyl 4-Chloropyridine-2-carboxylate (CAS# 64064-56-8) is a reactant in the synthesis of 1,5-naphthyridine aminothiazole and pyrazole derivatives as potent and selective inhibitors of the transforming growth factor-β type I receptor, ALK5. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CCOC(=O)C1=NC=CC(=C1)Cl |
InChI: | InChI=1S/C8H8ClNO2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3 |
InChI Key: | MXEIFGRJRCYUDJ-UHFFFAOYSA-N |
Boiling Point: | 278.561 ℃ at 760 mmHg |
Density: | 1.246 g/cm3 |
Appearance: | Slight yellow liquid |
MDL: | MFCD09702465 |
LogP: | 1.91170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110642837-A | Pyridine amide compound containing triazole or quinolinone structure and application thereof | 20191107 |
CN-110563697-A | preparation and application of 2-pyridine carboxamide compound | 20190327 |
CN-111094278-A | Diphenyl derivatives and their use | 20170913 |
TW-201920112-A | Diphenyl derivative and its use | 20170913 |
US-10633350-B2 | Diphenyl derivatives and uses thereof | 20170913 |
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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