| CAS Number | 1226878-99-4 |
| Catalog Number | AG000J03(AGN-PC-0WCJB6) |
| Chemical Name | 4-Pyridinol, 2-chloro-5-iodo- |
| IUPAC Name | 2-chloro-5-iodo-1H-pyridin-4-one |
| InChI | InChI=1S/C5H3ClINO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9) |
| InChI Key | XTJOJBYGTOMUCD-UHFFFAOYSA-N |
| MDL Number | MFCD19689499 |
| Molecular Formula | C5H3ClINO |
| Molecular Weight | 255.4409 |
| SMILES | Oc1c(I)cnc(c1)Cl |
| Synonyms | 2-Chloro-5-iodopyridin-4-ol,
1226878-99-4,
2-Chloro-5-iodo-4-pyridinol,
4-Pyridinol, 2-chloro-5-iodo-,
2-Chloro-5-iodopyridin-4(1H)-one,
SCHEMBL10200436,
2-Chloro-4-hydroxy-5-iodopyridine,
2-chloro-5-iodo-1H-pyridin-4-one,
ZINC95931252,
FCH1359818,
SB11315,
KS-000004C7,
AK-43601,
AS-33948,
DB-084747,
CS-0051947,
AJ-136924,
N/A,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.89479g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.44g/mol |
| Monoisotopic Mass | 254.89479g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number