2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid

C9H10F2N2O3 — CID 166585285

IUPAC2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid
SMILESCOc1cc(C(C)C(=O)O)nc(C(F)F)n1
InChIInChI=1S/C9H10F2N2O3/c1-4(9(14)15)5-3-6(16-2)13-8(12-5)7(10)11/h3-4,7H,1-2H3,(H,14,15)
InChIKeyCKJUGPVMWWUJFX-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.61
Rot. Bonds4

About 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid

2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid (PubChem CID 166585285) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid
PubChem CID166585285
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid
SMILESCOc1cc(C(C)C(=O)O)nc(C(F)F)n1
InChIInChI=1S/C9H10F2N2O3/c1-4(9(14)15)5-3-6(16-2)13-8(12-5)7(10)11/h3-4,7H,1-2H3,(H,14,15)
InChIKeyCKJUGPVMWWUJFX-UHFFFAOYSA-N
XLogP1.61
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid?
The IUPAC name of 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid (CID 166585285) is 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid is COc1cc(C(C)C(=O)O)nc(C(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid?
The InChIKey is CKJUGPVMWWUJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-4(9(14)15)5-3-6(16-2)13-8(12-5)7(10)11/h3-4,7H,1-2H3,(H,14,15).
What are the key properties of 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid?
2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid has a molecular weight of 232.19 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-methoxypyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 166585285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).