| CAS Number | 148874-68-4 |
| Catalog Number | AG01DI7E(AGN-PC-0Q2ID2) |
| Chemical Name | Methyl 5-fluoro-2,6-dihydroxynicotinate |
| IUPAC Name | methyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C7H6FNO4/c1-13-7(12)3-2-4(8)6(11)9-5(3)10/h2H,1H3,(H2,9,10,11) |
| InChI Key | ZSFQAJJFUBORSF-UHFFFAOYSA-N |
| MDL Number | MFCD27996650 |
| Molecular Formula | C7H6FNO4 |
| Molecular Weight | 187.1252 |
| SMILES | COC(=O)C1=C(O)N=C(O)C(F)=C1 |
| Synonyms | Methyl 5-fluoro-2,6-dihydroxynicotinate,
148874-68-4,
SCHEMBL8751819,
ZSFQAJJFUBORSF-UHFFFAOYSA-N,
MFCD27996650,
ZINC38220732,
DS-9158,
FCH2518417,
methyl 2,6-dihydroxy-5-fluoronicotinate,
AJ-94690,
AK149496,
AX8286751,
CID11084582,
(5Z)-3-fluoro-5-(hydroxy-methoxy-methylidene)pyridine-2,6-dione,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.126g/mol |
| Monoisotopic Mass | 187.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number