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5-(4-Fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic Acid

5-(4-Fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic Acid - CAS 891764-80-0

Name: 5-(4-Fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039361
Product Name:	5-(4-Fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic Acid
CAS:	891764-80-0
Synonyms:	5-(4-fluorophenyl)-1,2-dimethyl-3-pyrrolecarboxylic acid; 5-(4-fluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-fluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
Description:	5-(4-Fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic Acid (CAS# 891764-80-0) is a useful research chemical compound.
Molecular Weight:	233.24
Molecular Formula:	C13H12FNO2
Canonical SMILES:	CC1=C(C=C(N1C)C2=CC=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C13H12FNO2/c1-8-11(13(16)17)7-12(15(8)2)9-3-5-10(14)6-4-9/h3-7H,1-2H3,(H,16,17)
InChI Key:	OAKQOMKKKBNYCI-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde
[328270-02-6]C11H16N2OS
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Publication Number	Title	Priority Date
US-2014073632-A1	Treating protein folding disorders with small molecule cftr correctors	20110517
US-9221840-B2	Treating protein folding disorders with small molecule CFTR correctors	20110517
WO-2012158913-A2	Treating protein folding disorders with small molecule cftr correctors	20110517

Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.08520679
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.08520679
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4