5-Bromo-1,7-naphthyridin-8(7H)-one - CAS 67967-14-0
Catalog: |
BB033450 |
Product Name: |
5-Bromo-1,7-naphthyridin-8(7H)-one |
CAS: |
67967-14-0 |
Synonyms: |
5-bromo-7H-1,7-naphthyridin-8-one; 5-bromo-7H-1,7-naphthyridin-8-one |
IUPAC Name: | 5-bromo-7H-1,7-naphthyridin-8-one |
Description: | 5-Bromo-1,7-naphthyridin-8(7H)-one (CAS# 67967-14-0) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=C(C(=O)NC=C2Br)N=C1 |
InChI: | InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12) |
InChI Key: | OWSHCBPPPAJVAA-UHFFFAOYSA-N |
Boiling Point: | 455.087 ℃ at 760 mmHg |
Density: | 1.806 g/cm3 |
MDL: | MFCD09863860 |
LogP: | 2.09790 |
Publication Number | Title | Priority Date |
AU-2013365926-A1 | Novel heterocyclic compounds as bromodomain inhibitors | 20121221 |
AU-2013365926-A2 | Novel heterocyclic compounds as bromodomain inhibitors | 20121221 |
EP-2935253-A2 | Novel heterocyclic compounds as bromodomain inhibitors | 20121221 |
EP-2935253-B1 | Novel heterocyclic compounds as bromodomain inhibitors | 20121221 |
JP-2016507496-A | Novel heterocyclic compounds as bromodomain inhibitors | 20121221 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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