3,6-Dicyanopicoline

CAT: 0127-OR959412-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR959412-01Size:250 mg

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CAS Number

1352318-05-8

MDL Number

MFCD20529525

Purity

97%

Smiles

Cc1nc(ccc1C#N)C#N

Chemical Information

3,6-Dicyanopicoline

CAS Number	1352318-05-8
PubChem CID	56776944
IUPAC Name	6-methylpyridine-2,5-dicarbonitrile
Molecular Formula	C8H5N3
Molecular Weight	143.15
XLogP	1
Topological Polar Surface Area	60.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	228

SMILES

CC1=C(C=CC(=N1)C#N)C#N

InChI

InChI=1S/C8H5N3/c1-6-7(4-9)2-3-8(5-10)11-6/h2-3H,1H3

InChIKey

CAEXTFJYUABOTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1352318-05-8

CID: 56776944

Formula: C8H5N3

MW: 143.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.15
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	143.048347172
Monoisotopic Mass	143.048347172
Topological Polar Surface Area	60.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	228
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
OR310261	6,6'-Dibromo-3,3'bipyridine
OR81662-01	[3,3'-Bipyridine]-6,6'-dicarboxaldehyde
OR1023999-01	6,6'-Dimethyl-3,3'-Bipyridazine
OR1068516-01	6,6'-Dimethoxy-3,3'-bipyridine
OR1055265-01	[3,3'-Bipyridine]-6,6'-diamine
OR310260	6,6'-Dichloro-3,3'bipyridine
OR1052353-01	6,6'-Dimethyl-3,3'-bipyridine
OR1025592-01	6-Bromo-6'-Chloro-[3,3']-Bipyridine
OR1055117-01	3,6-Dimethoxy-3,6-dimethyl-2,7-dioxa-3,6-disilaoctane
BUP23929-01	6-Hydroxykaempferol 3,6-diglucoside

Catalog	Name
427571-01	3,6-Dicyanopicoline
sc-268322	6,6'-Dibromo-3,3'-bipyridine
426822-01	3,3'-Bipyridine-6,6'-dicarbonitrile
JH919680	6,6'-diformyl-3,3'-bipyridine
sc-268323	6,6'-Dichloro-3,3'-bipyridine
270985-01	6,6'-Dihydroxy-3,3'-bipyridine
UXB76543-01	6,6,6-Trifluorohexan-3-one
BBA59341-01	6,6-diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate
NKD41479-01	3- (Aminomethyl) -6,6,6-trifluorohexan-3-ol hydrochloride
447157-01	Dimethyl 3,3'-bipyridine-6,6'-dicarboxylate