2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid

C9H10F2N2O3 — CID 166585542

IUPAC2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid
SMILESCc1nc(OC(F)F)cc(C(C)C(=O)O)n1
InChIInChI=1S/C9H10F2N2O3/c1-4(8(14)15)6-3-7(16-9(10)11)13-5(2)12-6/h3-4,9H,1-2H3,(H,14,15)
InChIKeyPVPSTCRLSWCUBI-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.57
Rot. Bonds4

About 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid

2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid (PubChem CID 166585542) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid
PubChem CID166585542
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid
SMILESCc1nc(OC(F)F)cc(C(C)C(=O)O)n1
InChIInChI=1S/C9H10F2N2O3/c1-4(8(14)15)6-3-7(16-9(10)11)13-5(2)12-6/h3-4,9H,1-2H3,(H,14,15)
InChIKeyPVPSTCRLSWCUBI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid?
The IUPAC name of 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid (CID 166585542) is 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid?
The canonical SMILES for 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid is Cc1nc(OC(F)F)cc(C(C)C(=O)O)n1.
What is the InChIKey of 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid?
The InChIKey is PVPSTCRLSWCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-4(8(14)15)6-3-7(16-9(10)11)13-5(2)12-6/h3-4,9H,1-2H3,(H,14,15).
What are the key properties of 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid?
2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid has a molecular weight of 232.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethoxy)-2-methylpyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 166585542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).