3-Bromo-4-azaindole - CAS 23688-47-3

Catalog:	BB018144
Product Name:	3-Bromo-4-azaindole
CAS:	23688-47-3
Synonyms:	3-bromo-1H-pyrrolo[3,2-b]pyridine; 3-bromo-1H-pyrrolo[3,2-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-1H-pyrrolo[3,2-b]pyridine
Description:	3-Bromo-4-azaindole (CAS# 23688-47-3) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C(=CN2)Br)N=C1
InChI:	InChI=1S/C7H5BrN2/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4,10H
InChI Key:	IVNDTQPKDGOBDE-UHFFFAOYSA-N
Boiling Point:	346.3 °C at 760 mmHg
Density:	1.77 g/cm³
MDL:	MFCD10697525
LogP:	2.32540

Publication Number	Title	Priority Date
WO-2021127333-A1	Trpml modulators	20191219
US-10961238-B2	Modulators of hedgehog (Hh) signaling pathway	20161026
US-10669242-B2	Clostridium difficile toxin inhibitors	20160610
US-2019194147-A1	Novel Clostridium Difficile Toxin Inhibitors	20160610
WO-2017214359-A1	Novel clostridium difficile toxin inhibitors	20160610

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Related Functional Groups

Azaindoles

[885500-55-0]
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[122379-63-9]
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[55052-28-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8