2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid

C12H8F2N2O3 — CID 116820314

IUPAC2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(Oc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H8F2N2O3/c13-9-2-1-8(5-10(9)14)19-11-3-7(4-12(17)18)15-6-16-11/h1-3,5-6H,4H2,(H,17,18)
InChIKeyFHHCJAFZJATFTG-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.17
Rot. Bonds4

About 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid

2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid (PubChem CID 116820314) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
PubChem CID116820314
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(Oc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H8F2N2O3/c13-9-2-1-8(5-10(9)14)19-11-3-7(4-12(17)18)15-6-16-11/h1-3,5-6H,4H2,(H,17,18)
InChIKeyFHHCJAFZJATFTG-UHFFFAOYSA-N
XLogP2.17
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 24715591
[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
CID 55053415
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716048
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
CID 114585970
2-[6-(4-chlorophenyl)pyrimidin-4-yl]acetic acid
CID 117000602
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid (CID 116820314) is 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid is O=C(O)Cc1cc(Oc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid?
The InChIKey is FHHCJAFZJATFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c13-9-2-1-8(5-10(9)14)19-11-3-7(4-12(17)18)15-6-16-11/h1-3,5-6H,4H2,(H,17,18).
What are the key properties of 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid?
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid has a molecular weight of 266.20 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 116820314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).