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

Technical Data

Patents

Computed Properties

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

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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