4-Bromo-6-azaindole - CAS 69872-17-9

Catalog:	BB033998
Product Name:	4-Bromo-6-azaindole
CAS:	69872-17-9
Synonyms:	4-bromo-1H-pyrrolo[2,3-c]pyridine; 4-bromo-1H-pyrrolo[2,3-c]pyridine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1H-pyrrolo[2,3-c]pyridine
Description:	4-Bromo-6-azaindole (CAS# 69872-17-9) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CNC2=CN=CC(=C21)Br
InChI:	InChI=1S/C7H5BrN2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-4,10H
InChI Key:	NZUWATDXQMWXMY-UHFFFAOYSA-N
Boiling Point:	337.619 °C at 760 mmHg
Density:	1.771 g/cm³
Appearance:	Solid
MDL:	MFCD11847768
LogP:	2.32540

Publication Number	Title	Priority Date
WO-2021062316-A1	Azaindole carboxamide compounds for the treatment of mycobacterial infections	20190926
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606
WO-2020116662-A1	Cycloalkane-1,3-diamine derivative	20181206
TW-202039512-A	Cycloalkane-1,3-diamine compounds	20181206
CN-113164481-A	Cycloalkane-1, 3-diamine derivatives	20181206

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Related Functional Groups

Azaindoles

[1190318-85-4]
3-Iodo-7-methoxy-4-azaindole
[174610-12-9]
5-Amino-6-azaindole
[850892-97-6]
tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
[183208-35-7]
5-Bromo-7-azaindole
[346599-62-0]
4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
[1260671-83-7]
4-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	1.7