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

C18H11ClF2N2O3 — CID 58134417

IUPAC2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid
SMILESO=C(O)COc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)16-8-15(10-1-4-12(20)5-2-10)22-18(23-16)26-9-17(24)25/h1-8H,9H2,(H,24,25)
InChIKeyAXGJWLNWOBBZKJ-UHFFFAOYSA-N
MW376.75 g/mol
LogP4.21
Rot. Bonds5

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

2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid (PubChem CID 58134417) has the molecular formula C18H11ClF2N2O3 and a molecular weight of 376.75 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid
PubChem CID58134417
Molecular FormulaC18H11ClF2N2O3
Molecular Weight376.75 g/mol
Exact Mass376.04
IUPAC Name2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid
SMILESO=C(O)COc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)16-8-15(10-1-4-12(20)5-2-10)22-18(23-16)26-9-17(24)25/h1-8H,9H2,(H,24,25)
InChIKeyAXGJWLNWOBBZKJ-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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Related Compounds

2-[6-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid
CID 58134461
2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid
CID 58134397
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
3-[2-(4-chloro-3-fluorophenyl)-6-(3-methoxyphenyl)pyrimidin-4-yl]propanoic acid
CID 58134611
2-[[5-(2-chloro-4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetic acid
CID 167057450
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-5-(hydroxymethyl)pyrimidin-4-yl]oxyacetate
CID 58134319
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
ethyl 2-[[6-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]acetate
CID 58134499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid?
The IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid (CID 58134417) is 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid is O=C(O)COc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid?
The InChIKey is AXGJWLNWOBBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O3/c19-13-6-3-11(7-14(13)21)16-8-15(10-1-4-12(20)5-2-10)22-18(23-16)26-9-17(24)25/h1-8H,9H2,(H,24,25).
What are the key properties of 2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid?
2-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-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-[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]oxyacetic acid is sourced from PubChem (CID 58134417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).