5-Bromo-1-methylpyrrole-2-carboxylic Acid - CAS 865186-82-9

Catalog:	BB037972
Product Name:	5-Bromo-1-methylpyrrole-2-carboxylic Acid
CAS:	865186-82-9
Synonyms:	5-bromo-1-methyl-2-pyrrolecarboxylic acid; 5-bromo-1-methylpyrrole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-1-methylpyrrole-2-carboxylic acid
Description:	5-Bromo-1-methylpyrrole-2-carboxylic Acid (CAS# 865186-82-9) is a useful research chemical.
Molecular Weight:	204.02
Molecular Formula:	C6H6BrNO2
Canonical SMILES:	CN1C(=CC=C1Br)C(=O)O
InChI:	InChI=1S/C6H6BrNO2/c1-8-4(6(9)10)2-3-5(8)7/h2-3H,1H3,(H,9,10)
InChI Key:	PKYXJNNPHVMPDQ-UHFFFAOYSA-N
Boiling Point:	332.8 °C at 760 mmHg
Density:	1.73 g/cm³
MDL:	MFCD16659627
LogP:	1.48580

Publication Number	Title	Priority Date
WO-2021007350-A1	Bcat modulation	20190709
AU-2017277732-A1	New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610
CA-3027008-A1	(hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610
EP-3468971-A1	New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610
EP-3468971-B1	New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610

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Related Functional Groups

Carbonyl Compounds

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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.95819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.95819
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5