methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate

C13H7F4NO3 — CID 4191863

IUPACmethyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C13H7F4NO3/c1-20-13(19)6-2-4-7(5-3-6)21-10-8(14)11(16)18-12(17)9(10)15/h2-5H,1H3
InChIKeyOAHLOIRCFYMVQA-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.22
Rot. Bonds3

About methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate

methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate (PubChem CID 4191863) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate
PubChem CID4191863
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Namemethyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C13H7F4NO3/c1-20-13(19)6-2-4-7(5-3-6)21-10-8(14)11(16)18-12(17)9(10)15/h2-5H,1H3
InChIKeyOAHLOIRCFYMVQA-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]but-3-en-2-one
CID 949861
Methyl 4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarboxylate
CID 1479736
Ethyl 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoate
CID 4271674
1-[4-[(2,3,5,6-Tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone
CID 4128692
1-[4-[(2,3,5-Trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128693
1-[4-[(3,5-Difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128695
Ethyl 4-({2-[(pyridin-4-yl)oxy]hexyl}oxy)benzoate
CID 71422974
Methyl 4-(pyridin-2-yloxy)benzoate
CID 9991408
2-p-Anisoyloxypyridine
CID 12557116
Methyl 4-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 46499619
4-(Pyridin-4-yloxy)benzoic acid hydrochloride
CID 53537427
Methyl 3-fluoro-4-pyridin-2-yloxybenzoate
CID 177851733

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate (CID 4191863) is methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate?
The InChIKey is OAHLOIRCFYMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c1-20-13(19)6-2-4-7(5-3-6)21-10-8(14)11(16)18-12(17)9(10)15/h2-5H,1H3.
What are the key properties of methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate?
methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate has a molecular weight of 301.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 4191863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).