methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate

C18H11F3N2O3 — CID 70656624

IUPACmethyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(Oc3ccncc3)cc2F)n1
InChIInChI=1S/C18H11F3N2O3/c1-25-18(24)15-3-2-12(19)17(23-15)16-13(20)8-11(9-14(16)21)26-10-4-6-22-7-5-10/h2-9H,1H3
InChIKeyXKHBFNROOYANNO-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.14
Rot. Bonds4

About methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate

methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 70656624) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID70656624
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Namemethyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(Oc3ccncc3)cc2F)n1
InChIInChI=1S/C18H11F3N2O3/c1-25-18(24)15-3-2-12(19)17(23-15)16-13(20)8-11(9-14(16)21)26-10-4-6-22-7-5-10/h2-9H,1H3
InChIKeyXKHBFNROOYANNO-UHFFFAOYSA-N
XLogP4.14
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate (CID 70656624) is methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)cc(Oc3ccncc3)cc2F)n1.
What is the InChIKey of methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is XKHBFNROOYANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c1-25-18(24)15-3-2-12(19)17(23-15)16-13(20)8-11(9-14(16)21)26-10-4-6-22-7-5-10/h2-9H,1H3.
What are the key properties of methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate?
methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 360.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluoro-4-pyridin-4-yloxyphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70656624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).