2-Hydroxy-3-iodo-5-nitropyridine

CAT: 0127-OR345061-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR345061-01Size:5 g

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CAS Number

25391-58-6

MDL Number

MFCD06008303

Purity

97%

Smiles

Oc1ncc(cc1I)[N+](=O)[O-]

Chemical Information

3-Iodo-5-nitro-1,2-dihydropyridin-2-one

CAS Number	25391-58-6
PubChem CID	11780423
IUPAC Name	3-iodo-5-nitro-1H-pyridin-2-one
Molecular Formula	C5H3IN2O3
Molecular Weight	265.99
XLogP	0.4
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	276

SMILES

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

InChI

InChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)

InChIKey

DPHDSYLWPVMRTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25391-58-6

CID: 11780423

Formula: C5H3IN2O3

MW: 265.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.99
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	265.91884
Monoisotopic Mass	265.91884
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	276
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