5-Bromo-3-chloro-7-azaindole - CAS 951626-91-8

Catalog:	BB041629
Product Name:	5-Bromo-3-chloro-7-azaindole
CAS:	951626-91-8
Synonyms:	5-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine
Description:	5-Bromo-3-chloro-7-azaindole (CAS# 951626-91-8) is a useful research chemical.
Molecular Weight:	231.48
Molecular Formula:	C7H4BrClN2
Canonical SMILES:	C1=C2C(=CNC2=NC=C1Br)Cl
InChI:	InChI=1S/C7H4BrClN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
InChI Key:	DRLODJQNNSYVRH-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.97880

Publication Number	Title	Priority Date
WO-2021074279-A1	Spiro-fused tricyclic map4k1 inhibitors	20191016
TW-202005967-A	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20180705
CA-3068854-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20170705
CN-111093645-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20170705
EP-3648753-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20170705

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.92464
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.92464
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6