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Methyl 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Methyl 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate - CAS 952182-19-3

Catalog:	BB041647
Product Name:	Methyl 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS:	952182-19-3
Synonyms:	5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester; methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Description:	Methyl 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CAS# 952182-19-3 ) is a useful research chemical.
Molecular Weight:	210.62
Molecular Formula:	C9H7ClN2O2
Canonical SMILES:	COC(=O)C1=CC2=CC(=CN=C2N1)Cl
InChI:	InChI=1S/C9H7ClN2O2/c1-14-9(13)7-3-5-2-6(10)4-11-8(5)12-7/h2-4H,1H3,(H,11,12)
InChI Key:	OMFINIKIHUOPAQ-UHFFFAOYSA-N
Density:	1.453 g/cm³
MDL:	MFCD09841660
LogP:	2.00290

Publication Number	Title	Priority Date
CA-2914529-A1	Novel aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection	20130812
EP-3033341-A1	Novel aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection	20130812
EP-3033341-B1	Novel aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection	20130812
JP-2016530257-A	Novel aza-oxo-indoles for the treatment and prevention of respiratory syncytial virus infection	20130812
JP-6211195-B2	Novel aza-oxo-indoles for the treatment and prevention of respiratory syncytial virus infection	20130812

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0196052
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1