4-Cyanopyridine

CAT: 0063-90027175-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-90027175-100gSize:100 g

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CAS Number

100-48-1

Molecular Formula

C6H4N2

Molecular Weight

104.11

Formulation

C6H4N2

Chemical Information

4-Cyanopyridine

4-cyanopyridine is a cyanopyridine carrying the cyano group at position 4.

CAS Number	100-48-1
PubChem CID	7506
IUPAC Name	pyridine-4-carbonitrile
Molecular Formula	C6H4N2
Molecular Weight	104.11
XLogP	0.5
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	105

SMILES

C1=CN=CC=C1C#N

InChI

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

InChIKey

GPHQHTOMRSGBNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-48-1

CID: 7506

Formula: C6H4N2

MW: 104.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.11
XLogP3	0.5
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	105
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

Catalog	Name
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
25725310-500g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
25579154-25g	4,4'-Dipyridyl
90028020-1g	4,4'-Biphenyldicarboxaldehyde
90028020	4,4'-Biphenyldicarboxaldehyde
56493615	4,4-Dichlorobenzhydrol
25579154-01	4,4'-Dipyridyl
25579154-100g	4,4'-Dipyridyl
90029175	4,4'-Diaminoazobenzene