tert-Butyl 5-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate - CAS 1198096-55-7
Catalog: |
BB004639 |
Product Name: |
tert-Butyl 5-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate |
CAS: |
1198096-55-7 |
Synonyms: |
tert-butyl 5-bromo-7-chloropyrrolo[2,3-c]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 5-bromo-7-chloropyrrolo[2,3-c]pyridine-1-carboxylate |
Description: | tert-Butyl 5-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate (CAS# 1198096-55-7) is a useful research chemical. |
Molecular Weight: | 331.59 |
Molecular Formula: | C12H12BrClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=CC(=NC(=C21)Cl)Br |
InChI: | InChI=1S/C12H12BrClN2O2/c1-12(2,3)18-11(17)16-5-4-7-6-8(13)15-10(14)9(7)16/h4-6H,1-3H3 |
InChI Key: | ZTHJWXDIQUDVFC-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD13176644 |
LogP: | 4.23540 |
Publication Number | Title | Priority Date |
EP-2989101-B1 | 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1h-pyrrolo[2,3-c]pyridine derivatives as nik inhibitors for the treatment of cancer | 20130424 |
US-2016075699-A1 | 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1h-pyrrolo[2,3-c]pyridine derivatives as nik inhibitors for the treatment of cancer | 20130424 |
US-9643964-B2 | 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer | 20130424 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.97707 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.97707 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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Related Functional Groups
Pyridines
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