methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate

C19H15FN2O4 — CID 155783187

IUPACmethyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(Oc3ccc(F)cc3)cc(N)n2)cc1
InChIInChI=1S/C19H15FN2O4/c1-24-19(23)12-2-6-15(7-3-12)26-18-11-16(10-17(21)22-18)25-14-8-4-13(20)5-9-14/h2-11H,1H3,(H2,21,22)
InChIKeyZPMJIARCRRWOBN-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.17
Rot. Bonds5

About methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate

methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate (PubChem CID 155783187) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
PubChem CID155783187
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namemethyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(Oc3ccc(F)cc3)cc(N)n2)cc1
InChIInChI=1S/C19H15FN2O4/c1-24-19(23)12-2-6-15(7-3-12)26-18-11-16(10-17(21)22-18)25-14-8-4-13(20)5-9-14/h2-11H,1H3,(H2,21,22)
InChIKeyZPMJIARCRRWOBN-UHFFFAOYSA-N
XLogP4.17
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
CID 155783124
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
CID 170307924
CID 170307924
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
CID 165391069
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
CID 68616120
dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
4-(4-fluorophenoxy)benzamide
CID 22142233
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate (CID 155783187) is methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate is COC(=O)c1ccc(Oc2cc(Oc3ccc(F)cc3)cc(N)n2)cc1.
What is the InChIKey of methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate?
The InChIKey is ZPMJIARCRRWOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-24-19(23)12-2-6-15(7-3-12)26-18-11-16(10-17(21)22-18)25-14-8-4-13(20)5-9-14/h2-11H,1H3,(H2,21,22).
What are the key properties of methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate?
methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate has a molecular weight of 354.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 155783187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).