| CAS Number | 1271477-28-1 |
| Catalog Number | AG00HRNA(AGN-PC-0WQVNS) |
| Chemical Name | 2-Chloro-4-fluoro-3-iodopyridine |
| IUPAC Name | 2-chloro-4-fluoro-3-iodopyridine |
| InChI | InChI=1S/C5H2ClFIN/c6-5-4(8)3(7)1-2-9-5/h1-2H |
| InChI Key | PKSPCHZIAYGSDB-UHFFFAOYSA-N |
| MDL Number | MFCD19686167 |
| Molecular Formula | C5H2ClFIN |
| Molecular Weight | 257.4320 |
| SMILES | c1cnc(c(c1F)I)Cl |
| Synonyms | 2-Chloro-4-fluoro-3-iodopyridine,
1271477-28-1,
SCHEMBL897963,
MFCD19686167,
ZINC67802786,
AKOS026744266,
NE34294,
Pyridine, 2-chloro-4-fluoro-3-iodo-,
DA-13035,
CS-0036868,
FT-0736056,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.431g/mol |
| Monoisotopic Mass | 256.89g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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