| CAS Number | 1211515-90-0 |
| Catalog Number | AG01AL3E |
| Chemical Name | 6-(1,1-Difluoroethyl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(1,1-difluoroethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO2/c1-8(9,10)6-3-2-5(4-11-6)7(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | MWUXSHOLOAZGOK-UHFFFAOYSA-N |
| MDL Number | MFCD18261112 |
| Molecular Formula | C8H7F2NO2 |
| Molecular Weight | 187.1435 |
| SMILES | CC(C1=NC=C(C(O)=O)C=C1)(F)F |
| Synonyms | 6-(1,1-difluoroethyl)pyridine-3-carboxylic acid,
1211515-90-0,
SCHEMBL15718539,
AKOS027196641,
ZINC220223255,
Z2234631178,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.146g/mol |
| Monoisotopic Mass | 187.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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