| CAS Number | 1228665-96-0 |
| Catalog Number | AG00HH3G(AGN-PC-0WAO4Y) |
| Chemical Name | 2-Fluoro-6-(pyrrolidin-1-yl)isonicotinic acid |
| IUPAC Name | 2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H11FN2O2/c11-8-5-7(10(14)15)6-9(12-8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15) |
| InChI Key | VWAYZTJRTOUOEB-UHFFFAOYSA-N |
| MDL Number | MFCD15530262 |
| Molecular Formula | C10H11FN2O2 |
| Molecular Weight | 210.2049 |
| SMILES | Fc1nc(cc(c1)C(=O)O)N1CCCC1 |
| Synonyms | 2-Fluoro-6-(pyrrolidin-1-yl)isonicotinic acid,
1228665-96-0,
SCHEMBL17371701,
CTK7C2777,
2620AD,
ZINC39961265,
AKOS015852923,
TR-071248,
K-1739,
2-Fluoro-6-(pyrrolidin-1-yl)isonicotinic acid, AldrichCPR,
AC1Q72VV,
C10H11FN2O2,
2-fluoro-6-(pyrrolidin-1-yl)pyridine-4-carboxylic acid,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.080456g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.2g/mol |
| Monoisotopic Mass | 210.080456g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number