| CAS Number | 1134777-22-2 |
| Catalog Number | AG019F17 |
| Chemical Name | 5-Chloro-6-(hydroxymethyl)-3-pyridinecarboxylic acid methyl ester |
| IUPAC Name | methyl 5-chloro-6-(hydroxymethyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H8ClNO3/c1-13-8(12)5-2-6(9)7(4-11)10-3-5/h2-3,11H,4H2,1H3 |
| InChI Key | CZCOMAQHRVALHU-UHFFFAOYSA-N |
| MDL Number | MFCD16660080 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COC(=O)c1cnc(c(c1)Cl)CO |
| Synonyms | methyl 5-chloro-6-(hydroxymethyl)nicotinate,
1134777-22-2,
SCHEMBL3655109,
MFCD16660080,
AKOS027321637,
CS-0061888,
5-chloro-6-(hydroxymethyl)-3-Pyridinecarboxylic acid methyl ester,
|
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number