(E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate - CAS 1203500-11-1
Catalog: |
BB059684 |
Product Name: |
(E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate |
CAS: |
1203500-11-1 |
Synonyms: |
(E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate; methyl (E)-3-(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)prop-2-enoate; Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate; Methyl3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate; (E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate, AldrichCPR |
IUPAC Name: | methyl (E)-3-(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)prop-2-enoate |
Description: | (E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate |
Molecular Weight: | 250.26 |
Molecular Formula: | C13H15FN2O2 |
Canonical SMILES: | COC(=O)C=CC1=C(N=C(C=C1)N2CCCC2)F |
InChI: | InChI=1S/C13H15FN2O2/c1-18-12(17)7-5-10-4-6-11(15-13(10)14)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3/b7-5+ |
InChI Key: | DCFDZVSTNYXNCD-FNORWQNLSA-N |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.11175589 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.11175589 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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