3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid

C14H13FN2O3 — CID 117225530

IUPAC3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
SMILESCOc1nc(-c2ccccc2F)ncc1CCC(=O)O
InChIInChI=1S/C14H13FN2O3/c1-20-14-9(6-7-12(18)19)8-16-13(17-14)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyLGRZTFDPAIPCSE-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.31
Rot. Bonds5

About 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid

3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid (PubChem CID 117225530) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
PubChem CID117225530
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
SMILESCOc1nc(-c2ccccc2F)ncc1CCC(=O)O
InChIInChI=1S/C14H13FN2O3/c1-20-14-9(6-7-12(18)19)8-16-13(17-14)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyLGRZTFDPAIPCSE-UHFFFAOYSA-N
XLogP2.31
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
CID 131870062
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
3-[5-(2-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82480476
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
CID 117229820
3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
CID 105483714
3-(2-fluorophenyl)propanoic acid
CID 2063866
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid (CID 117225530) is 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid is COc1nc(-c2ccccc2F)ncc1CCC(=O)O.
What is the InChIKey of 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid?
The InChIKey is LGRZTFDPAIPCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-14-9(6-7-12(18)19)8-16-13(17-14)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid?
3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 117225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).