tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate

C19H20Cl2FNO3 — CID 58134329

IUPACtert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H20Cl2FNO3/c1-18(2,3)26-17(24)19(4,5)25-16-10-12(20)9-15(23-16)11-6-7-13(21)14(22)8-11/h6-10H,1-5H3
InChIKeyOYOGTMKHSQBGSV-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.69
Rot. Bonds4

About tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate

tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate (PubChem CID 58134329) has the molecular formula C19H20Cl2FNO3 and a molecular weight of 400.28 g/mol. Its IUPAC name is tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate
PubChem CID58134329
Molecular FormulaC19H20Cl2FNO3
Molecular Weight400.28 g/mol
Exact Mass399.08
IUPAC Nametert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H20Cl2FNO3/c1-18(2,3)26-17(24)19(4,5)25-16-10-12(20)9-15(23-16)11-6-7-13(21)14(22)8-11/h6-10H,1-5H3
InChIKeyOYOGTMKHSQBGSV-UHFFFAOYSA-N
XLogP5.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate (CID 58134329) is tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)Oc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate?
The InChIKey is OYOGTMKHSQBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO3/c1-18(2,3)26-17(24)19(4,5)25-16-10-12(20)9-15(23-16)11-6-7-13(21)14(22)8-11/h6-10H,1-5H3.
What are the key properties of tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate?
tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate has a molecular weight of 400.28 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate is sourced from PubChem (CID 58134329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).