Methyl 5-Bromoquinoline-8-carboxylate - CAS 1445781-45-2
Catalog: |
BB009794 |
Product Name: |
Methyl 5-Bromoquinoline-8-carboxylate |
CAS: |
1445781-45-2 |
Synonyms: |
5-bromo-8-quinolinecarboxylic acid methyl ester; methyl 5-bromoquinoline-8-carboxylate |
IUPAC Name: | methyl 5-bromoquinoline-8-carboxylate |
Description: | Methyl 5-Bromoquinoline-8-carboxylate (CAS# 1445781-45-2) is a useful research chemical. |
Molecular Weight: | 266.09 |
Molecular Formula: | C11H8BrNO2 |
Canonical SMILES: | COC(=O)C1=C2C(=C(C=C1)Br)C=CC=N2 |
InChI: | InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-5-9(12)7-3-2-6-13-10(7)8/h2-6H,1H3 |
InChI Key: | IHRLTIQTMTVDGZ-UHFFFAOYSA-N |
LogP: | 2.78390 |
Publication Number | Title | Priority Date |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
AU-2017228385-A1 | Substituted indole Mcl-1 inhibitors | 20160304 |
CA-3016182-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
JP-2019513697-A | Substituted indole Mcl-1 inhibitors | 20160304 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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