| CAS Number | 1411564-29-8 |
| Catalog Number | AG01BDI5 |
| Chemical Name | 2-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid |
| IUPAC Name | 2-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10FNO3/c14-11-6-2-1-4-9(11)8-18-12-10(13(16)17)5-3-7-15-12/h1-7H,8H2,(H,16,17) |
| InChI Key | WSLQGTOTPYXTMT-UHFFFAOYSA-N |
| MDL Number | MFCD19102013 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | OC(C1=C(OCC2=C(F)C=CC=C2)N=CC=C1)=O |
| Synonyms | 2-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid,
1411564-29-8,
ZINC70079400,
AKOS013247227,
MCULE-5798138763,
NE34804,
Z1839474920,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.225g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number