2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid

C8H9FN2O2 — CID 84659444

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid
SMILESCc1cc(C(F)C(=O)O)nc(C)n1
InChIInChI=1S/C8H9FN2O2/c1-4-3-6(7(9)8(12)13)11-5(2)10-4/h3,7H,1-2H3,(H,12,13)
InChIKeyNMNNLUPAYASZQF-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.19
Rot. Bonds2

About 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid

2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid (PubChem CID 84659444) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid
PubChem CID84659444
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid
SMILESCc1cc(C(F)C(=O)O)nc(C)n1
InChIInChI=1S/C8H9FN2O2/c1-4-3-6(7(9)8(12)13)11-5(2)10-4/h3,7H,1-2H3,(H,12,13)
InChIKeyNMNNLUPAYASZQF-UHFFFAOYSA-N
XLogP1.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid (CID 84659444) is 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid is Cc1cc(C(F)C(=O)O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid?
The InChIKey is NMNNLUPAYASZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-4-3-6(7(9)8(12)13)11-5(2)10-4/h3,7H,1-2H3,(H,12,13).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid?
2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-2-fluoroacetic acid is sourced from PubChem (CID 84659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).