Ethyl 3-Cyanopyrrole-2-carboxylate - CAS 7126-44-5
Catalog: |
BB034340 |
Product Name: |
Ethyl 3-Cyanopyrrole-2-carboxylate |
CAS: |
7126-44-5 |
Synonyms: |
3-cyano-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 3-cyano-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 3-cyano-1H-pyrrole-2-carboxylate |
Description: | Ethyl 3-Cyanopyrrole-2-carboxylate (CAS# 7126-44-5) is a useful research chemical compound. |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CN1)C#N |
InChI: | InChI=1S/C8H8N2O2/c1-2-12-8(11)7-6(5-9)3-4-10-7/h3-4,10H,2H2,1H3 |
InChI Key: | OSBMXQIJLZOLET-UHFFFAOYSA-N |
Boiling Point: | 361.6 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 1.06308 |
Publication Number | Title | Priority Date |
AU-2018382422-A1 | Pyrrole derivatives as ACC inhibitors | 20171211 |
TW-201930265-A | Pyrrole derivatives as ACC inhibitors | 20171211 |
WO-2019115405-A1 | Pyrrole derivatives as acc inhibitors | 20171211 |
AU-2018382422-B2 | Pyrrole derivatives as ACC inhibitors | 20171211 |
BR-112020005829-A2 | pyrrole derivatives as acc inhibitors | 20171211 |
PMID | Publication Date | Title | Journal |
9057866 | 19970227 | Synthesis and antiproliferative and antiviral activity of carbohydrate-modified pyrrolo[2,3-d]pyridazin-7-one nucleosides | Journal of medicinal chemistry |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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