| CAS Number | 1228670-40-3 |
| Catalog Number | AG00HH4V(AGN-PC-0WBQUT) |
| Chemical Name | (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime |
| IUPAC Name | (NE)-N-[(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)methylidene]hydroxylamine |
| InChI | InChI=1S/C10H12FN3O/c11-10-8(7-12-15)3-4-9(13-10)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6H2/b12-7+ |
| InChI Key | JQAZDWJJXUPEHW-KPKJPENVSA-N |
| MDL Number | MFCD15530301 |
| Molecular Formula | C10H12FN3O |
| Molecular Weight | 209.2202 |
| SMILES | ON=CC1=C(F)N=C(C=C1)N1CCCC1 |
| Synonyms | (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime,
1228670-40-3,
(E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehydeoxime,
C13H15FN2O2,
AC1Q5A18,
2687AD,
2688AD,
MFCD15530301,
AKOS015853324,
PS-13123,
TR-071305,
K-1759,
(E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime, AldrichCPR,
(E)-N-{[2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl]methylidene}hydroxylamine,
C10H12FN3O,
(E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)acrylate,
1228670-52-7,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 209.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.224g/mol |
| Monoisotopic Mass | 209.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number