methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate

C18H19FN2O5 — CID 67228575

IUPACmethyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C18H19FN2O5/c1-18(2,3)26-17(23)21-15-8-6-12(10-20-15)25-14-9-11(19)5-7-13(14)16(22)24-4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyZBJXFUDYPONFNU-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.15
Rot. Bonds4

About methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate

methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate (PubChem CID 67228575) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate
PubChem CID67228575
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Namemethyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C18H19FN2O5/c1-18(2,3)26-17(23)21-15-8-6-12(10-20-15)25-14-9-11(19)5-7-13(14)16(22)24-4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyZBJXFUDYPONFNU-UHFFFAOYSA-N
XLogP4.15
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate (CID 67228575) is methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate is COC(=O)c1ccc(F)cc1Oc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate?
The InChIKey is ZBJXFUDYPONFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-18(2,3)26-17(23)21-15-8-6-12(10-20-15)25-14-9-11(19)5-7-13(14)16(22)24-4/h5-10H,1-4H3,(H,20,21,23).
What are the key properties of methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate?
methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate has a molecular weight of 362.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]oxy]benzoate is sourced from PubChem (CID 67228575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).