3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid

C14H13FN2O3 — CID 104572677

IUPAC3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid
SMILESCOc1cncc(C(Cc2cccc(F)c2)C(=O)O)n1
InChIInChI=1S/C14H13FN2O3/c1-20-13-8-16-7-12(17-13)11(14(18)19)6-9-3-2-4-10(15)5-9/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyNYSYJDOGLQAVEW-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.04
Rot. Bonds5

About 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid

3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid (PubChem CID 104572677) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid
PubChem CID104572677
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid
SMILESCOc1cncc(C(Cc2cccc(F)c2)C(=O)O)n1
InChIInChI=1S/C14H13FN2O3/c1-20-13-8-16-7-12(17-13)11(14(18)19)6-9-3-2-4-10(15)5-9/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyNYSYJDOGLQAVEW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
CID 104571529
2-(5-chloro-2-methoxypyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 104572728
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
3-(3-fluorophenyl)-2-(6-propylpyrimidin-4-yl)propanoic acid
CID 104572729
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
CID 106550843
2-(5-bromopyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 113428182
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid (CID 104572677) is 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid is COc1cncc(C(Cc2cccc(F)c2)C(=O)O)n1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid?
The InChIKey is NYSYJDOGLQAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-13-8-16-7-12(17-13)11(14(18)19)6-9-3-2-4-10(15)5-9/h2-5,7-8,11H,6H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid?
3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid is sourced from PubChem (CID 104572677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).