Ethyl 5-Cyanoindole-2-carboxylate - CAS 105191-13-7
Catalog: |
BB001572 |
Product Name: |
Ethyl 5-Cyanoindole-2-carboxylate |
CAS: |
105191-13-7 |
Synonyms: |
5-cyano-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-cyano-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 5-cyano-1H-indole-2-carboxylate |
Description: | Ethyl 5-Cyanoindole-2-carboxylate (CAS# 105191-13-7) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C#N |
InChI: | InChI=1S/C12H10N2O2/c1-2-16-12(15)11-6-9-5-8(7-13)3-4-10(9)14-11/h3-6,14H,2H2,1H3 |
InChI Key: | VZSOXWAHGVEQOT-UHFFFAOYSA-N |
Boiling Point: | 419.334 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
LogP: | 2.21628 |
Publication Number | Title | Priority Date |
CN-112300129-A | Heterocyclic compounds as BCR-ABL inhibitors | 20190729 |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
CN-112300129-B | Heterocyclic compounds as BCR-ABL inhibitors | 20190729 |
AU-2016264958-A1 | Benzoimidazole derivatives as PAD4 inhibitors | 20150521 |
CA-2986199-A1 | Benzomidazole derivatives as pad4 inhibitors | 20150521 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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