3-Bromo-7-azaindole - CAS 74420-15-8

Catalog:	BB035080
Product Name:	3-Bromo-7-azaindole
CAS:	74420-15-8
Synonyms:	3-bromo-1H-pyrrolo[2,3-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-1H-pyrrolo[2,3-b]pyridine
Description:	A reagent used in the preparation of biologically active Azaindoles.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(NC=C2Br)N=C1
InChI:	InChI=1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChI Key:	VJDGIJDCXIEXPF-UHFFFAOYSA-N
Boiling Point:	336.4 °C at 760 mmHg
Purity:	97.0 %
Density:	1.77 g/cm³
MDL:	MFCD02179272
LogP:	2.32540

Publication Number	Title	Priority Date
CN-113248500-A	Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof	20210610
CN-113248500-B	Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof	20210610
CN-112979647-A	Azaindole derivative containing azaamino acid, preparation and application	20210312
WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
WO-2021074279-A1	Spiro-fused tricyclic map4k1 inhibitors	20191016

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GHS Hazard Statement:	H301 (92.86%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	2