| CAS Number | 1168091-15-3 |
| Catalog Number | AG019ENM |
| Chemical Name | methyl 2-chloro-6-(hydroxymethyl)pyridine-3-carboxylate |
| IUPAC Name | methyl 2-chloro-6-(hydroxymethyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H8ClNO3/c1-13-8(12)6-3-2-5(4-11)10-7(6)9/h2-3,11H,4H2,1H3 |
| InChI Key | LBIRLZISQQAOQQ-UHFFFAOYSA-N |
| MDL Number | MFCD17926564 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COC(=O)c1ccc(CO)nc1Cl |
| Synonyms | Methyl 2-chloro-6-(hydroxymethyl)nicotinate,
1168091-15-3,
SCHEMBL921392,
LBIRLZISQQAOQQ-UHFFFAOYSA-N,
MFCD17926564,
CS-0060292,
2-Chloro-6-hydroxymethyl-nicotinic acid methyl ester,
2-chloro-6-hydroxymethylnicotinic acid methyl ester,
2-chloro-6-(hydroxymethyl)-3-Pyridinecarboxylic acid methyl ester,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number