3-Iodo-5-phenylpyridine

CAT: 0127-OR1081121-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081121-01Size:250 mg

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CAS Number

1214362-59-0

MDL Number

MFCD14702052

Purity

97%

Smiles

C1 (cncc (c1) c1ccccc1) I

Chemical Information

3-Iodo-5-phenylpyridine

CAS Number	1214362-59-0
PubChem CID	23436978
IUPAC Name	3-iodo-5-phenylpyridine
Molecular Formula	C11H8IN
Molecular Weight	281.09
XLogP	3.1
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

C1=CC=C(C=C1)C2=CC(=CN=C2)I

InChI

InChI=1S/C11H8IN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H

InChIKey

KPYBSPLYNSCWAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1214362-59-0

CID: 23436978

Formula: C11H8IN

MW: 281.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.09
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	280.97015
Monoisotopic Mass	280.97015
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
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
PYB34299-01	5-Iodo-2-phenylpyridine
MBS5826262	3-Bromo-5-phenylpyridine
sc-486395	3-Methyl-5-phenylpyridine
425747-01	3-Fluoro-5-phenylpyridine
sc-266788	3-N-Boc-amino-4-iodo-6-phenylpyridine
286390-01	3-Phenylpyridine
sc-265532	2-Chloro-3-cyano-5-phenylpyridine
sc-206375	2-Amino-3-methylamino-5-phenylpyridine
A601840	2-Amino-3-bromo-5-phenylpyridine
sc-225297	2-Chloro-5-phenylpyridine-3-carboxaldehyde