Diethyl 2-(2-Bromo-4-pyridyl)malonate - CAS 1387560-71-5
Catalog: |
BB008832 |
Product Name: |
Diethyl 2-(2-Bromo-4-pyridyl)malonate |
CAS: |
1387560-71-5 |
Synonyms: |
2-(2-bromo-4-pyridinyl)propanedioic acid diethyl ester; diethyl 2-(2-bromopyridin-4-yl)propanedioate |
IUPAC Name: | diethyl 2-(2-bromopyridin-4-yl)propanedioate |
Description: | Diethyl 2-(2-Bromo-4-pyridyl)malonate (CAS# 1387560-71-5 ) is a useful research chemical. |
Molecular Weight: | 316.15 |
Molecular Formula: | C12H14BrNO4 |
Canonical SMILES: | CCOC(=O)C(C1=CC(=NC=C1)Br)C(=O)OCC |
InChI: | InChI=1S/C12H14BrNO4/c1-3-17-11(15)10(12(16)18-4-2)8-5-6-14-9(13)7-8/h5-7,10H,3-4H2,1-2H3 |
InChI Key: | RIHUXTHFFOGHJT-UHFFFAOYSA-N |
LogP: | 2.05390 |
Publication Number | Title | Priority Date |
WO-2021142247-A1 | Smarca2-vhl degraders | 20200110 |
AU-2012206527-A1 | BACE-2 inhibitors for the treatment of metabolic disorders | 20110113 |
AU-2012206561-A1 | Novel heterocyclic derivatives and their use in the treatment of neurological disorders | 20110113 |
AU-2012206561-B2 | Novel heterocyclic derivatives and their use in the treatment of neurological disorders | 20110113 |
CN-103403001-A | Novel heterocyclic derivatives and their use in the treatment of neurological disorders | 20110113 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.01062 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.01062 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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