Name: Name:2-Amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
Brand: Angene
SKU: AG00JNM5
Rating: 90 (10 reviews)

2-Amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile

CAS No.:

186033-14-7

Catalog Number:

AG00JNM5

Molecular Formula:

C12H10FN3

Molecular Weight:

215.2263

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Purity

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Product Description

Catalog Number:

AG00JNM5

Chemical Name:

2-Amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile

CAS Number:

186033-14-7

Molecular Formula:

C12H10FN3

Molecular Weight:

215.2263

MDL Number:

MFCD00954157

IUPAC Name:

2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile

InChI:

InChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3

InChI Key:

KVDWOQGDMAEJLM-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)[nH]c(c1C)c1ccccc1F

Properties

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.231g/mol

Monoisotopic Mass:

215.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Functional characterization of large conductance calcium-activated K+ channel openers in bladder and vascular smooth muscle.	Naunyn-Schmiedeberg's archives of pharmacology 20040501
A novel pyrrole derivative, NS-8, suppresses the rat micturition reflex by inhibiting afferent pelvic nerve activity.	BJU international 20031201
Effects of intermediate-conductance Ca2+-activated K+ channel modulators on human prostate cancer cell proliferation.	European journal of pharmacology 20030627
The discovery of a new class of large-conductance Ca2+-activated K+ channel opener targeted for overactive bladder: synthesis and structure-activity relationships of 2-amino-4-azaindoles.	Bioorganic & medicinal chemistry letters 20030616
Recent developments in the biology and medicinal chemistry of potassium channel modulators: update from a decade of progress.	Journal of medicinal chemistry 20010524