3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid

C14H13FN2O2 — CID 104572711

IUPAC3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
SMILESCc1nccnc1C(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-9-13(17-6-5-16-9)12(14(18)19)8-10-3-2-4-11(15)7-10/h2-7,12H,8H2,1H3,(H,18,19)
InChIKeyFJWHUJBSIXKECD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.34
Rot. Bonds4

About 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid

3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid (PubChem CID 104572711) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
PubChem CID104572711
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
SMILESCc1nccnc1C(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-9-13(17-6-5-16-9)12(14(18)19)8-10-3-2-4-11(15)7-10/h2-7,12H,8H2,1H3,(H,18,19)
InChIKeyFJWHUJBSIXKECD-UHFFFAOYSA-N
XLogP2.34
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
2-(5-chloro-2-methoxypyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 104572728
2-(5-bromopyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 113428182
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237
3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
CID 104573313
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
3-(3-fluorophenyl)-2-(6-propylpyrimidin-4-yl)propanoic acid
CID 104572729
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid (CID 104572711) is 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid is Cc1nccnc1C(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid?
The InChIKey is FJWHUJBSIXKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-13(17-6-5-16-9)12(14(18)19)8-10-3-2-4-11(15)7-10/h2-7,12H,8H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid?
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid has a molecular weight of 260.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid is sourced from PubChem (CID 104572711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).