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methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate

methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate

CAS: 1454847-99-4

Formula: C15H15FN2O3

SMILES: COC(=O)C1=CC=C(F)C=C1[C@@H](C)OC1=CC=CN=C1N

IUPAC: methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate

InChI: InChI=1S/C15H15FN2O3/c1-9(21-13-4-3-7-18-14(13)17)12-8-10(16)5-6-11(12)15(19)20-2/h3-9H,1-2H3,(H2,17,18)/t9-/m1/s1

Composition: C (62.06%), H (5.21%), F (6.54%), N (9.65%), O (16.53%)

Molar Mass: 290.294

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 290.106670514
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GMFQSQNAGPWXPZ-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.65
Topological Polar Surface Area 74.44
Polarizability 28.65
Ring Count 2
Rotatable Bond Count 5

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