2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid

C12H9FN2O3 — CID 104606526

IUPAC2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncc(F)cn2)c1
InChIInChI=1S/C12H9FN2O3/c13-9-6-14-12(15-7-9)18-10-3-1-2-8(4-10)5-11(16)17/h1-4,6-7H,5H2,(H,16,17)
InChIKeyHBWHUWLZYPPRRR-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.04
Rot. Bonds4

About 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid

2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid (PubChem CID 104606526) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
PubChem CID104606526
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncc(F)cn2)c1
InChIInChI=1S/C12H9FN2O3/c13-9-6-14-12(15-7-9)18-10-3-1-2-8(4-10)5-11(16)17/h1-4,6-7H,5H2,(H,16,17)
InChIKeyHBWHUWLZYPPRRR-UHFFFAOYSA-N
XLogP2.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-(3-quinazolin-4-yloxyphenyl)acetic acid
CID 61398015
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid (CID 104606526) is 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid is O=C(O)Cc1cccc(Oc2ncc(F)cn2)c1.
What is the InChIKey of 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid?
The InChIKey is HBWHUWLZYPPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-6-14-12(15-7-9)18-10-3-1-2-8(4-10)5-11(16)17/h1-4,6-7H,5H2,(H,16,17).
What are the key properties of 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid?
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid has a molecular weight of 248.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 104606526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).