4-Bromo-1H-pyrrole-2-carboxylic Acid - CAS 27746-02-7

Catalog:	BB019661
Product Name:	4-Bromo-1H-pyrrole-2-carboxylic Acid
CAS:	27746-02-7
Synonyms:	4-bromo-1H-pyrrole-2-carboxylic acid; 4-bromo-1H-pyrrole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-bromo-1H-pyrrole-2-carboxylic acid
Description:	4-Bromo-1H-pyrrole-2-carboxylic Acid (CAS# 27746-02-7) is a useful research chemical.
Molecular Weight:	189.99
Molecular Formula:	C5H4BrNO2
Canonical SMILES:	C1=C(NC=C1Br)C(=O)O
InChI:	InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key:	YUWKEVJEMKKVGQ-UHFFFAOYSA-N
Boiling Point:	393 °C at 760 mmHg
Density:	1.969 g/cm³
MDL:	MFCD00832862
LogP:	1.47540

Publication Number	Title	Priority Date
WO-2021007350-A1	Bcat modulation	20190709
WO-2019166616-A1	Pyrazole derivatives as nhibitors of the wnt signalling pathway	20180302
CN-111801325-A	Pyrazole derivatives as inhibitors of Wnt signaling pathways	20180302
EP-3759104-A1	Pyrazole derivatives as inhibitors of the wnt signalling pathway	20180302
US-2021002265-A1	Pyrazole derivatives as inhibitors of the wnt signalling pathway	20180302

PMID	Publication Date	Title	Journal
22969581	20120901	4-Bromo-1H-pyrrole-2-carb-oxy-lic acid	Acta crystallographica. Section E, Structure reports online
17582775	20070901	Damipipecolin and damituricin, novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella damicornis	Bioorganic & medicinal chemistry
16441082	20060101	Isolation and synthesis of 4-bromopyrrole-2-carboxyarginine and 4-bromopyrrole-2-carboxy-N(epsilon)-lysine from the marine sponge Stylissa caribica	Journal of natural products
15225561	20040701	Brominated pyrrole alkaloids from marine Agelas sponges reduce depolarization-induced cellular calcium elevation	Toxicon : official journal of the International Society on Toxinology

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (33.33%): 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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.94254
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.94254
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3