Methyl 2-Methylindole-5-carboxylate - CAS 57663-18-0
Catalog: |
BB029782 |
Product Name: |
Methyl 2-Methylindole-5-carboxylate |
CAS: |
57663-18-0 |
Synonyms: |
2-methyl-1H-indole-5-carboxylic acid methyl ester; methyl 2-methyl-1H-indole-5-carboxylate |
IUPAC Name: | methyl 2-methyl-1H-indole-5-carboxylate |
Description: | Methyl 2-Methylindole-5-carboxylate (CAS# 57663-18-0) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC2=C(N1)C=CC(=C2)C(=O)OC |
InChI: | InChI=1S/C11H11NO2/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7/h3-6,12H,1-2H3 |
InChI Key: | WBTQQYISPCCLIS-UHFFFAOYSA-N |
LogP: | 2.26290 |
Publication Number | Title | Priority Date |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
WO-2020027225-A1 | Heterocyclic compound | 20180731 |
EP-3831811-A1 | Heterocyclic compound | 20180731 |
US-2021179614-A1 | Heterocyclic compound | 20180731 |
WO-2017136395-A1 | Benzopyrazole compounds and analogues thereof | 20160201 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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