| CAS Number | 1803821-90-0 |
| Catalog Number | AG0021XT |
| Chemical Name | 4-Pyridinecarboxylic acid, 3-fluoro-5-methyl-, methyl ester |
| IUPAC Name | methyl 3-fluoro-5-methylpyridine-4-carboxylate |
| InChI | InChI=1S/C8H8FNO2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,1-2H3 |
| InChI Key | NVJYTGPBZODHPT-UHFFFAOYSA-N |
| MDL Number | MFCD28798350 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | FC1=C(C(=O)OC)C(=CN=C1)C |
| Synonyms | Methyl 3-fluoro-5-methylisonicotinate,
1803821-90-0,
SCHEMBL20187531,
MFCD28798350,
ZINC260545819,
FCH4274107,
PC53259,
PS-11622,
Methyl 3-fluoro-5-methylpyridine-4-carboxylate,
4-Pyridinecarboxylic acid, 3-fluoro-5-methyl-, methyl ester,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.155g/mol |
| Monoisotopic Mass | 169.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number