| CAS Number | 1286777-05-6 |
| Catalog Number | AG01BEH8(AGN-PC-0WOVM6) |
| Chemical Name | 5-(Cyclopropylmethoxy)-3-fluoropicolinic acid |
| IUPAC Name | 5-(cyclopropylmethoxy)-3-fluoropyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H10FNO3/c11-8-3-7(15-5-6-1-2-6)4-12-9(8)10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
| InChI Key | KCJISHKAUURYHR-UHFFFAOYSA-N |
| MDL Number | MFCD20228354 |
| Molecular Formula | C10H10FNO3 |
| Molecular Weight | 211.1897 |
| SMILES | OC(C1=C(F)C=C(OCC2CC2)C=N1)=O |
| Synonyms | 1286777-05-6,
5-(cyclopropylmethoxy)-3-fluoropyridine-2-carboxylic acid,
5-(Cyclopropylmethoxy)-3-fluoropicolinic acid,
SCHEMBL15968850,
ZINC98095687,
AKOS026744618,
Z2510258124,
2-Pyridinecarboxylic acid, 5-(cyclopropylmethoxy)-3-fluoro-,
5-(CYCLOPROPYLMETHOXY)-3-FLUOROPYRIDINE-2-CARBOXYLICACID,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.192g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number