| CAS Number | 726206-53-7 |
| Catalog Number | AG00FH4U(AGN-PC-01W1HJ) |
| Chemical Name | 2-Hydroxy-4-iodonicotinaldehyde |
| IUPAC Name | 4-iodo-2-oxo-1H-pyridine-3-carbaldehyde |
| InChI | InChI=1S/C6H4INO2/c7-5-1-2-8-6(10)4(5)3-9/h1-3H,(H,8,10) |
| InChI Key | MSJYKVLQESELLY-UHFFFAOYSA-N |
| MDL Number | MFCD14585381 |
| Molecular Formula | C6H4INO2 |
| Molecular Weight | 249.0059 |
| SMILES | O=Cc1c(I)ccnc1O |
| Synonyms | 2-hydroxy-4-iodonicotinaldehyde,
726206-53-7,
4-Iodo-2-oxo-1,2-dihydropyridine-3-carbaldehyde,
SCHEMBL3723673,
MSJYKVLQESELLY-UHFFFAOYSA-N,
ZINC40450014,
4-iodo-2-oxo-1H-pyridine-3-carbaldehyde,
FT-0750246,
X5164,
3-Pyridinecarboxaldehyde, 1,2-dihydro-4-iodo-2-oxo-,
C6H4INO2,
ACN-027054,
1,2-dihydro-4-iodo-2-oxopyridine-3-carbaldehyde,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.007g/mol |
| Monoisotopic Mass | 248.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number