2- (4-Iodophenoxy) nicotinonitrile

CAT: 0127-OR110473Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR110473Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1094242-66-6

MDL Number

MFCD11177177

Purity

=95%

Smiles

Ic1ccc(Oc2ncccc2C#N)cc1

Chemical Information

2-(4-Iodophenoxy)nicotinonitrile

CAS Number	1094242-66-6
PubChem CID	43087642
IUPAC Name	2-(4-iodophenoxy)pyridine-3-carbonitrile
Molecular Formula	C12H7IN2O
Molecular Weight	322.10
XLogP	3.1
Topological Polar Surface Area	45.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	267

SMILES

C1=CC(=C(N=C1)OC2=CC=C(C=C2)I)C#N

InChI

InChI=1S/C12H7IN2O/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H

InChIKey

BAAGBIPVKDJAJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094242-66-6

CID: 43087642

Formula: C12H7IN2O

MW: 322.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.10
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	321.96031
Monoisotopic Mass	321.96031
Topological Polar Surface Area	45.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	267
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
OR110476	6- (4-Iodophenoxy) nicotinonitrile
OR1055715-01	2- (4-Iodophenoxy) ethanol
OR59435-01	2- (4-Iodophenoxy) malonaldehyde
OR33128-01	2- (4-Iodophenoxy) pyrimidine
OR110472	2- (4-Bromophenoxy) nicotinonitrile
OR110948	2- (4-Chlorophenoxy) nicotinonitrile
OR110471	2- (4-Formylphenoxy) nicotinonitrile
OR111487	2- (2,4-Dichlorophenoxy) nicotinonitrile
OR310454-01	Methyl 2- (4-iodophenoxy) acetate
OR1080120-01	4-[2- (4-iodophenoxy) ethyl]morpholine

Catalog	Name
260933-01	4-Amino-nicotinonitrile
GTR19252685-01	4- (Trifluoromethyl) nicotinonitrile
434497-01	5- (4-Formylphenyl) nicotinonitrile
sc-311217	6- (4-Formylphenyl) nicotinonitrile
sc-325673	6- (4-Propoxyphenoxy) nicotinonitrile
sc-506784	2- (4-Chlorophenoxy) nicotinonitrile
sc-506981	6- (4-Chlorophenoxy) nicotinonitrile
sc-307391	2-Chloro-4- (4-fluorophenyl) nicotinonitrile
sc-307392A	2-Chloro-4- (4-methylphenyl) nicotinonitrile
JKA68328	6- (Morpholin-4-yl) nicotinonitrile