Compound Fr13949

CAT: 0013-GTR19270011-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19270011-01Size:500 mg

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Description

Compound Fr13949, with CAS No. 100-54-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13949 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

CAS Number

100-54-9

Purity

99.27% (May vary between batches)

Smiles

N#CC1=CC=CN=C1

Molecular Formula

C6H4N2

Molecular Weight

104.11

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

3-Cyanopyridine

3-cyanopyridine is a cyanopyridine carrying the cyano group at position 3.

CAS Number	100-54-9
PubChem CID	79
IUPAC Name	pyridine-3-carbonitrile
Molecular Formula	C6H4N2
Molecular Weight	104.11
XLogP	0.2
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	111

SMILES

C1=CC(=CN=C1)C#N

InChI

InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H

InChIKey

GZPHSAQLYPIAIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-54-9

CID: 79

Formula: C6H4N2

MW: 104.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	104.11
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	104.037448136
Monoisotopic Mass	104.037448136
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19270010-01	Compound Fr13945
GTR19270005-01	Compound Fr13919
GTR19270014-01	Compound Fr13959
GTR19270009-01	Compound Fr13943
GTR19269923-01	Compound Fr13449
GTR19270020-01	Compound Fr13999
GTR19269898-01	Compound Fr13249
GTR19269932-01	Compound Fr13547
GTR19269928-01	Compound Fr13491
GTR19269900-01	Compound Fr13279

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090

Compound Fr13949

Chemical Information

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