Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate - CAS 1314988-17-4
Catalog: |
BB076095 |
Product Name: |
Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
CAS: |
1314988-17-4 |
Synonyms: |
Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate; Methyl5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
IUPAC Name: | methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
Description: | Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
Molecular Weight: | 246.24 |
Molecular Formula: | C13H11FN2O2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C2=CN=C(C=C2)N)F |
InChI: | InChI=1S/C13H11FN2O2/c1-18-13(17)10-6-8(2-4-11(10)14)9-3-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16) |
InChI Key: | PNQCQNFYAYAWJP-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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