tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate - CAS 850892-97-6
Catalog: |
BB037467 |
Product Name: |
tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate |
CAS: |
850892-97-6 |
Synonyms: |
4-bromo-1-pyrrolo[2,3-c]pyridinecarboxylic acid tert-butyl ester; tert-butyl 4-bromopyrrolo[2,3-c]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 4-bromopyrrolo[2,3-c]pyridine-1-carboxylate |
Description: | tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate (CAS# 850892-97-6 ) is a useful research chemical. |
Molecular Weight: | 297.152 |
Molecular Formula: | C12H13BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C(C=NC=C21)Br |
InChI: | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-9(13)6-14-7-10(8)15/h4-7H,1-3H3 |
InChI Key: | ZHKSWKOYMANKCN-UHFFFAOYSA-N |
LogP: | 3.58200 |
Publication Number | Title | Priority Date |
JP-2019516761-A | Pyridinedicarboxamide derivatives as bromodomain inhibitors | 20160524 |
KR-20190006567-A | Pyridine Dicarboxamide Derivatives as Bromo Domain Inhibitors | 20160524 |
US-2019202786-A1 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 20160524 |
WO-2017202742-A1 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 20160524 |
US-10844015-B2 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 20160524 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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