3-Iodopyridin-2(1H)-one - ≥98% , CAS No.111079-46-0

CAS: 111079-46-0 Cat. No.: I586377 Molecular Weight: 221 EC Number: 849-729-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
A894795 | iodopyridone | DTXSID90545576 | SY028872 | 3-Iodo-2-hydroxypyridin | 3-IODOPYRIDIN-2-OL | 3-iodo-2-pyridone | MFCD09835279 | AKOS030621364 | AS-46517 | SCHEMBL1422273 | AKOS016008954 | 3-Iodopyridin-2(1H)-one | EN300-182193 | 2-HYDROXY-3-IODOPYR
Storage
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
I586377-250mg
3

$19.90

$29.90
Save $10.00 (33.44%)
1g
I586377-1g
3

$39.90

$59.90
Save $20.00 (33.39%)
5g
I586377-5g
1

$119.90

$179.90
Save $60.00 (33.35%)
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🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
A894795 | iodopyridone | DTXSID90545576 | SY028872 | 3-Iodo-2-hydroxypyridin | 3-IODOPYRIDIN-2-OL | 3-iodo-2-pyridone | MFCD09835279 | AKOS030621364 | AS-46517 | SCHEMBL1422273 | AKOS016008954 | 3-Iodopyridin-2(1H)-one | EN300-182193 | 2-HYDROXY-3-IODOPYR
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CNC(=O)C(=C1)I
IUPAC Name3-iodo-1H-pyridin-2-one
InChIKeyYEMFHJFNJPXYOE-UHFFFAOYSA-N
INCHI1S/C5H4INO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
Isomeric SMILES C1=CNC(=O)C(=C1)I
Molecular Weight 221
Reaxy-Rn 5494189
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5494189&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassHydropyridines
Intermediate Tree Nodes Not available
Direct ParentPyridinones
Alternative Parents Dihydropyridines  Aryl iodides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organoiodides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Dihydropyridine - Pyridinone - Aryl halide - Aryl iodide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
H2323224Certificate of AnalysisJun 09, 2026 I586377
H2323231Certificate of AnalysisJun 09, 2026 I586377
H2323232Certificate of AnalysisJun 09, 2026 I586377
Chemical and Physical Properties
Molecular Weight221.000 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass220.934 Da
Monoisotopic Mass220.934 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity171.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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