3-Iodo-2-nitropyridine

CAT: 0127-OR315076-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR315076-01Size:1 g

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

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CAS Number

54231-34-4

MDL Number

MFCD08061318

Purity

98%

Smiles

IC1=CC=CN=C1N(=O)=O

Storage Conditions

Store at 2-8°C

Chemical Information

3-Iodo-2-nitropyridine

CAS Number	54231-34-4
PubChem CID	23436971
IUPAC Name	3-iodo-2-nitropyridine
Molecular Formula	C5H3IN2O2
Molecular Weight	249.99
XLogP	1.7
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

C1=CC(=C(N=C1)[N+](=O)[O-])I

InChI

InChI=1S/C5H3IN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H

InChIKey

LOKURQBFRJDSOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54231-34-4

CID: 23436971

Formula: C5H3IN2O2

MW: 249.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.99
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	249.92392
Monoisotopic Mass	249.92392
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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