4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile - CAS 920966-02-5

Catalog:	BB040425
Product Name:	4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CAS:	920966-02-5
Synonyms:	4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile; 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Description:	4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CAS# 920966-02-5) is a useful research chemical.
Molecular Weight:	177.59
Molecular Formula:	C8H4ClN3
Canonical SMILES:	C1=CNC2=NC=C(C(=C21)Cl)C#N
InChI:	InChI=1S/C8H4ClN3/c9-7-5(3-10)4-12-8-6(7)1-2-11-8/h1-2,4H,(H,11,12)
InChI Key:	ULYGKPKPBWOTFQ-UHFFFAOYSA-N
Density:	1.5 g/cm³
MDL:	MFCD09965877
LogP:	2.08798

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
WO-2021175270-A1	Novel hpk1 inhibitor, preparation method therefor and application thereof	20200303
US-2020347053-A1	Substituted pyrrolopyridines as jak inhibitors	20190502
WO-2020223728-A1	Substituted pyrrolopyridines as jak inhibitors	20190502
WO-2020182159-A1	Jak kinase inhibitor, preparation method for same, and applications thereof in field of medicine	20190314

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Related Functional Groups

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.0093748
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7