6-Iodonicotinonitrile

CAT: 0127-OR3547-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR3547-01Size:250 mg

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CAS Number

289470-22-0

Synonyms

5-Cyano-2-iodopyridine

MDL Number

MFCD08689512

Purity

98%

Smiles

Ic1ccc(cn1)C#N

Chemical Information

6-Iodonicotinonitrile

CAS Number	289470-22-0
PubChem CID	15765965
IUPAC Name	6-iodopyridine-3-carbonitrile
Molecular Formula	C6H3IN2
Molecular Weight	230.01
XLogP	1.3
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	137

SMILES

C1=CC(=NC=C1C#N)I

InChI

InChI=1S/C6H3IN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H

InChIKey

OSZBCDXCSFPFSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289470-22-0

CID: 15765965

Formula: C6H3IN2

MW: 230.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.01
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	229.93410
Monoisotopic Mass	229.93410
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137
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
OR94129-01	6-Amino-5-iodonicotinonitrile
OR303814-01	6-Hydroxy-5-iodonicotinonitrile
OR1082255	5-iodonicotinonitrile
OR3354	2-Iodonicotinonitrile
OR93056-01	2-Amino-5-iodonicotinonitrile
PC103524	2,6-Dichloro-5-fluoro-4-iodonicotinonitrile
OR300387-01	2-Chloro-5-iodonicotinonitrile
BICL2356-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
BICL2357-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
PC1002678-01	6,6,6-Trifluorohexanoic acid

Catalog	Name
PLA47022-01	6-Iodonicotinonitrile
sc-325937A	6-Hydroxy-5-iodonicotinonitrile
MXB32251	6-Amino-5-iodonicotinonitrile
abx182296-01	6-Chloro-4-iodonicotinonitrile
418436-01	2-Iodonicotinonitrile
sc-321779A	2-Hydroxy-5-iodonicotinonitrile
416781-01	2-Chloro-4-iodonicotinonitrile
sc-257002A	6,6,6-Trifluoronorleucine
GC4378-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
GC3568-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside