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

C19H13ClFNO4 — CID 155783124

IUPACmethyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(Cl)nc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H13ClFNO4/c1-24-19(23)12-2-6-14(7-3-12)25-16-10-17(20)22-18(11-16)26-15-8-4-13(21)5-9-15/h2-11H,1H3
InChIKeyBDRBRURDRJKWFX-UHFFFAOYSA-N
MW373.77 g/mol
LogP5.25
Rot. Bonds5

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

methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate (PubChem CID 155783124) has the molecular formula C19H13ClFNO4 and a molecular weight of 373.77 g/mol. Its IUPAC name is methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
PubChem CID155783124
Molecular FormulaC19H13ClFNO4
Molecular Weight373.77 g/mol
Exact Mass373.05
IUPAC Namemethyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(Cl)nc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H13ClFNO4/c1-24-19(23)12-2-6-14(7-3-12)25-16-10-17(20)22-18(11-16)26-15-8-4-13(21)5-9-15/h2-11H,1H3
InChIKeyBDRBRURDRJKWFX-UHFFFAOYSA-N
XLogP5.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.77
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
CID 155783187
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
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
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456
methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
CID 3784687
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate (CID 155783124) is methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate is COC(=O)c1ccc(Oc2cc(Cl)nc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate?
The InChIKey is BDRBRURDRJKWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO4/c1-24-19(23)12-2-6-14(7-3-12)25-16-10-17(20)22-18(11-16)26-15-8-4-13(21)5-9-15/h2-11H,1H3.
What are the key properties of methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate?
methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate has a molecular weight of 373.77 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate is sourced from PubChem (CID 155783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).