Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate - CAS 1314987-71-7
Catalog: |
BB076093 |
Product Name: |
Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate |
CAS: |
1314987-71-7 |
Synonyms: |
Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate; Methyl3-(6-aminopyridin-3-yl)-5-fluorobenzoate |
IUPAC Name: | methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate |
Description: | Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate |
Molecular Weight: | 246.24 |
Molecular Formula: | C13H11FN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C2=CN=C(C=C2)N)F |
InChI: | InChI=1S/C13H11FN2O2/c1-18-13(17)10-4-9(5-11(14)6-10)8-2-3-12(15)16-7-8/h2-7H,1H3,(H2,15,16) |
InChI Key: | IWSQDIMVXVHITJ-UHFFFAOYSA-N |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.08045576 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.08045576 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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