methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate

C16H17FN2O3 — CID 129390721

IUPACmethyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate
SMILESCC[C@@H](Oc1cccnc1N)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C16H17FN2O3/c1-3-13(22-14-5-4-8-19-15(14)18)12-9-10(17)6-7-11(12)16(20)21-2/h4-9,13H,3H2,1-2H3,(H2,18,19)/t13-/m1/s1
InChIKeyMMVGCNCOPXCYRX-CYBMUJFWSA-N
MW304.32 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate

methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate (PubChem CID 129390721) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate
PubChem CID129390721
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate
SMILESCC[C@@H](Oc1cccnc1N)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C16H17FN2O3/c1-3-13(22-14-5-4-8-19-15(14)18)12-9-10(17)6-7-11(12)16(20)21-2/h4-9,13H,3H2,1-2H3,(H2,18,19)/t13-/m1/s1
InChIKeyMMVGCNCOPXCYRX-CYBMUJFWSA-N
XLogP3.12
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
CID 129390734
methyl 2-[(1S)-1-aminoethyl]-5-fluorobenzoate
CID 130699725
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
CID 176652584
2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
methyl 2-[butan-2-yl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919416
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160668295
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate?
The IUPAC name of methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate (CID 129390721) is methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate is CC[C@@H](Oc1cccnc1N)c1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate?
The InChIKey is MMVGCNCOPXCYRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-3-13(22-14-5-4-8-19-15(14)18)12-9-10(17)6-7-11(12)16(20)21-2/h4-9,13H,3H2,1-2H3,(H2,18,19)/t13-/m1/s1.
What are the key properties of methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate?
methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate has a molecular weight of 304.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate is sourced from PubChem (CID 129390721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).