2-Phenylimidazo[1,2-a]pyridine-7-carboxylic Acid - CAS 959-40-0

Name: 2-Phenylimidazo[1,2-a]pyridine-7-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041917
Product Name:	2-Phenylimidazo[1,2-a]pyridine-7-carboxylic Acid
CAS:	959-40-0
Synonyms:	2-phenyl-7-imidazo[1,2-a]pyridinecarboxylic acid; 2-phenylimidazo[1,2-a]pyridine-7-carboxylic acid

Technical Data

IUPAC Name:	2-phenylimidazo[1,2-a]pyridine-7-carboxylic acid
Description:	2-Phenylimidazo[1,2-a]pyridine-7-carboxylic Acid (CAS# 959-40-0) is an intermediate in the synthesis of Deoxynivalenol 15-Glucuronide TEA Salt (>90%) (D243915), used as a biomarker for dietary deoxynivalenol (D243900), a tricothecene myotoxin exposure.
Molecular Weight:	238.24
Molecular Formula:	C14H10N2O2
Canonical SMILES:	C1=CC=C(C=C1)C2=CN3C=CC(=CC3=N2)C(=O)O
InChI:	InChI=1S/C14H10N2O2/c17-14(18)11-6-7-16-9-12(15-13(16)8-11)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChI Key:	LVBKJPNJRHJALB-UHFFFAOYSA-N
Density:	1.3 g/cm³
LogP:	2.69950

Publication Number	Title	Priority Date
WO-2020010252-A1	Fused ring compound having urea structure	20180705
AU-2019297453-A1	Fused ring compound having urea structure	20180705
CA-3105456-A1	Fused ring compound having urea structure	20180705
CN-112654608-A	Condensed ring compounds having urea structure	20180705
EP-3818053-A1	Fused ring compound having urea structure	20180705

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.074227566
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3