2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid

C18H11ClF2N2O3 — CID 58134461

IUPAC2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)15-8-16(26-9-17(24)25)23-18(22-15)10-1-4-12(20)5-2-10/h1-8H,9H2,(H,24,25)
InChIKeyMIWCGIPFVIRGNF-UHFFFAOYSA-N
MW376.75 g/mol
LogP4.21
Rot. Bonds5

About 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid

2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid (PubChem CID 58134461) has the molecular formula C18H11ClF2N2O3 and a molecular weight of 376.75 g/mol. Its IUPAC name is 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid
PubChem CID58134461
Molecular FormulaC18H11ClF2N2O3
Molecular Weight376.75 g/mol
Exact Mass376.04
IUPAC Name2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)15-8-16(26-9-17(24)25)23-18(22-15)10-1-4-12(20)5-2-10/h1-8H,9H2,(H,24,25)
InChIKeyMIWCGIPFVIRGNF-UHFFFAOYSA-N
XLogP4.21
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid (CID 58134461) is 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid is O=C(O)COc1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid?
The InChIKey is MIWCGIPFVIRGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)15-8-16(26-9-17(24)25)23-18(22-15)10-1-4-12(20)5-2-10/h1-8H,9H2,(H,24,25).
What are the key properties of 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid?
2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid has a molecular weight of 376.75 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 58134461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).