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Ethyl 1H-Pyrrolo[2,3-b]pyridine-2-carboxylate

Ethyl 1H-Pyrrolo[2,3-b]pyridine-2-carboxylate - CAS 221675-35-0

Catalog:	BB017434
Product Name:	Ethyl 1H-Pyrrolo[2,3-b]pyridine-2-carboxylate
CAS:	221675-35-0
Synonyms:	1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester; ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Description:	Ethyl 1H-Pyrrolo[2,3-b]pyridine-2-carboxylate (CAS# 221675-35-0) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C10H10N2O2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)N=CC=C2
InChI:	InChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:	CBIVEMGUNRNUEB-UHFFFAOYSA-N
Boiling Point:	355.936 °C at 760 mmHg
Density:	1.272 g/cm³
MDL:	MFCD09998715
LogP:	1.73960

Publication Number	Title	Priority Date
WO-2021050992-A1	Usp30 inhibitors and uses thereof	20190911
BR-112020012651-A2	compounds derived from aryl-bipyridine amine as inhibitors of phosphatidylinositol phosphate kinase, pharmaceutical composition comprising the same and therapeutic uses of said compounds	20171222
EP-3728230-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
US-2020331913-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
CA-3076476-A1	Imidazo-pyridine compounds as pad inhibitors	20171018

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9