(E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime - CAS 1228670-40-3
Catalog: |
BB065099 |
Product Name: |
(E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime |
CAS: |
1228670-40-3 |
Synonyms: |
(E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime; (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehydeoxime; (NE)-N-[(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)methylidene]hydroxylamine; (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime, AldrichCPR |
IUPAC Name: | (NE)-N-[(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)methylidene]hydroxylamine |
Description: | (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime |
Molecular Weight: | 209.22 |
Molecular Formula: | C10H12FN3O |
Canonical SMILES: | C1CCN(C1)C2=NC(=C(C=C2)C=NO)F |
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 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 209.09644018 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.09644018 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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