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5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine - CAS 1266343-30-9

Catalog:	BB061903
Product Name:	5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CAS:	1266343-30-9
Synonyms:	5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine; 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine; 7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-4-chloro-7-methyl-

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
Description:	Used in the preparation of indoline derivatives as PERK inhibitors.
Molecular Weight:	246.49
Molecular Formula:	C7H5BrClN3
Canonical SMILES:	CN1C=C(C2=C1N=CN=C2Cl)Br
InChI:	InChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3
InChI Key:	QGPYXNYRUAFOHC-UHFFFAOYSA-N
Solubility:	Chloroform, Methanol
Appearance:	Light Brown Solid

Publication Number	Title	Priority Date
AU-2018255191-A1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
CA-3060564-A1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
CN-110831927-A	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
EP-3612519-A1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
KR-20190140966-A	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compound	20170418
WO-2018194885-A1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
US-2021114985-A1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
JP-2021517555-A	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compound	20170418
EP-3612519-B1	Phenyl-2-hydroxy-acetylamino-2-methyl-phenyl compounds	20170418
AU-2011232516-A1	Chemical compounds	20100325

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.93554
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.93554
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3