2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid

C14H13FN2O5 — CID 19875637

IUPAC2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid
SMILESCOc1cc(C)nc(OC(Oc2ccccc2F)C(=O)O)n1
InChIInChI=1S/C14H13FN2O5/c1-8-7-11(20-2)17-14(16-8)22-13(12(18)19)21-10-6-4-3-5-9(10)15/h3-7,13H,1-2H3,(H,18,19)
InChIKeyLNMSQZOTEGEUTM-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid

2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid (PubChem CID 19875637) has the molecular formula C14H13FN2O5 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid
PubChem CID19875637
Molecular FormulaC14H13FN2O5
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid
SMILESCOc1cc(C)nc(OC(Oc2ccccc2F)C(=O)O)n1
InChIInChI=1S/C14H13FN2O5/c1-8-7-11(20-2)17-14(16-8)22-13(12(18)19)21-10-6-4-3-5-9(10)15/h3-7,13H,1-2H3,(H,18,19)
InChIKeyLNMSQZOTEGEUTM-UHFFFAOYSA-N
XLogP1.80
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid?
The IUPAC name of 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid (CID 19875637) is 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid?
The canonical SMILES for 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid is COc1cc(C)nc(OC(Oc2ccccc2F)C(=O)O)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid?
The InChIKey is LNMSQZOTEGEUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5/c1-8-7-11(20-2)17-14(16-8)22-13(12(18)19)21-10-6-4-3-5-9(10)15/h3-7,13H,1-2H3,(H,18,19).
What are the key properties of 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid?
2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid has a molecular weight of 308.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxyacetic acid is sourced from PubChem (CID 19875637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).