4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one - CAS 346599-62-0

Catalog:	BB022225
Product Name:	4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
CAS:	346599-62-0
Synonyms:	4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one; 4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Description:	4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one (CAS# 346599-62-0) is a useful research chemical.
Molecular Weight:	168.58
Molecular Formula:	C7H5ClN2O
Canonical SMILES:	C1C2=C(C=CN=C2NC1=O)Cl
InChI:	InChI=1S/C7H5ClN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChI Key:	MUJHLWISGAWFPZ-UHFFFAOYSA-N
Boiling Point:	372.983 °C at 760 mmHg
Density:	1.45 g/cm³
MDL:	MFCD11518939
LogP:	1.36760

Publication Number	Title	Priority Date
WO-2020012357-A1	Heterocyclic compounds and methods of use	20180710
US-2020247812-A1	Heterocyclic compounds and methods of use	20180710
US-10266528-B2	2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof	20160816
US-2018051024-A1	2-oxo-imidazopyridines as reversible btk inhibitors and uses thereof	20160816
EP-3356330-A1	Biaryl kinase inhibitors	20151001

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Related Functional Groups

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2,3-Dimethyl-7-azaindole
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4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0090405
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	42
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7