8-Bromo-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one - CAS 143540-56-1

Catalog:	BB072471
Product Name:	8-Bromo-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
CAS:	143540-56-1
Synonyms:	8-Bromo-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-one; 13-Bromo-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

Technical Data

IUPAC Name:	13-bromo-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Description:	8-Bromo-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one is an intermediate in the synthesis of 8-Deschloro-8-bromo Desloratadine (D290995), an impurity of Loratadine (L469575). 8-Deschloro-8-bromo Desloratadine may be used to develop novel analytical applications for detecting impurities of Loratadine.
Molecular Weight:	288.14
Molecular Formula:	C14H10BrNO
Canonical SMILES:	C1CC2=C(C=CC(=C2)Br)C(=O)C3=C1C=CC=N3
InChI:	InChI=1S/C14H10BrNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2
InChI Key:	ABQDSBOUVLUFNK-UHFFFAOYSA-N
Solubility:	Chloroform
Appearance:	Greenish Powder
Storage:	20°C
References:	Ramulu, G., et al. Sci. Pharm 79, 277 (2011); Reddy, K. V. S. R. K., et al.: J Pharm Biomed Anal 32, 29 (2003).

Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.99458
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	286.99458
Rotatable Bond Count:	0
Topological Polar Surface Area:	30Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6