3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid

C13H11FN2O2 — CID 82384666

IUPAC3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-10(6-11)13-15-7-9(8-16-13)4-5-12(17)18/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeySOGGZTHPWZHUST-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.30
Rot. Bonds4

About 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid

3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid (PubChem CID 82384666) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
PubChem CID82384666
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-10(6-11)13-15-7-9(8-16-13)4-5-12(17)18/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeySOGGZTHPWZHUST-UHFFFAOYSA-N
XLogP2.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 82476094
3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid
CID 166387567
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
CID 155915416
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
CID 144589467
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-[4-(5-bromopyrimidin-2-yl)phenyl]propanoic acid
CID 145005858
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid (CID 82384666) is 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid is O=C(O)CCc1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is SOGGZTHPWZHUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-3-1-2-10(6-11)13-15-7-9(8-16-13)4-5-12(17)18/h1-3,6-8H,4-5H2,(H,17,18).
What are the key properties of 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid?
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 246.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 82384666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).