Methyl α-oxo-7-azaindole-3-acetate - CAS 357263-49-1
Catalog: |
BB022744 |
Product Name: |
Methyl α-oxo-7-azaindole-3-acetate |
CAS: |
357263-49-1 |
Synonyms: |
methyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate |
IUPAC Name: | methyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate |
Description: | An azaindole derivative as CRTH2 receptor antagonist. |
Molecular Weight: | 204.18 |
Molecular Formula: | C10H8N2O3 |
Canonical SMILES: | COC(=O)C(=O)C1=CNC2=C1C=CC=N2 |
InChI: | InChI=1S/C10H8N2O3/c1-15-10(14)8(13)7-5-12-9-6(7)3-2-4-11-9/h2-5H,1H3,(H,11,12) |
InChI Key: | LXGPNHJNIRDJER-UHFFFAOYSA-N |
Boiling Point: | 399.1 °C at 760 mmHg |
Melting Point: | 165-168 °C |
Purity: | 95 % |
Density: | 1.392 g/cm3 |
Appearance: | White to off-white |
LogP: | 0.91860 |
Publication Number | Title | Priority Date |
AU-2009295231-A1 | Azaindole derivatives as CRTH2 receptor antagonists | 20080922 |
CA-2736571-A1 | Azaindole derivatives as crth2 receptor antagonists | 20080922 |
EP-2344497-B1 | Azaindole derivatives as crth2 receptor antagonists | 20080922 |
JP-2012502928-A | Azaindole derivatives as CRTH2 receptor antagonists | 20080922 |
US-2011178115-A1 | Azaindole derivatives as crth2 receptor antagonists | 20080922 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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