Ethyl 4-bromopyrrole-2-carboxylate - CAS 433267-55-1

Catalog:	BB025383
Product Name:	Ethyl 4-bromopyrrole-2-carboxylate
CAS:	433267-55-1
Synonyms:	ethyl 4-bromo-1H-pyrrole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-bromo-1H-pyrrole-2-carboxylate
Description:	Ethyl 4-bromopyrrole-2-carboxylate (CAS# 433267-55-1) is a useful research chemical.
Molecular Weight:	218.05
Molecular Formula:	C7H8BrNO2
Canonical SMILES:	CCOC(=O)C1=CC(=CN1)Br
InChI:	InChI=1S/C7H8BrNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h3-4,9H,2H2,1H3
InChI Key:	ZNKYCJKUHXQUJQ-UHFFFAOYSA-N
Boiling Point:	301.7 °C at 760 mmHg
Density:	1.576 g/cm³
MDL:	MFCD06205071
LogP:	1.95390

Publication Number	Title	Priority Date
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
US-2020339555-A1	Therapeutic compounds and methods of use thereof	20190425
KR-102274077-B1	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
KR-20200115934-A	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
CA-3042693-A1	Pyrrole amides as .alpha.v integrin inhibitors	20161108

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Pyrroles

[1551432-13-3]
3,6-Bis(2,4-dimethyl-1-pyrrolyl)-1,2,4,5-tetrazine
[78540-03-1]
1-phenyl-1H-pyrrole-2-carboxylic acid
[2368945-96-2]
N-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
[134272-63-2]
N-Boc-2-maleimidoethylamine
[17450-29-2]
1-Hexylpyrrole-2,5-dione

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.97384
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.97384
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2