2-fluoro-3-pyrazin-2-ylbutanoic acid

C8H9FN2O2 — CID 81357952

IUPAC2-fluoro-3-pyrazin-2-ylbutanoic acid
SMILESCC(c1cnccn1)C(F)C(=O)O
InChIInChI=1S/C8H9FN2O2/c1-5(7(9)8(12)13)6-4-10-2-3-11-6/h2-5,7H,1H3,(H,12,13)
InChIKeyGSXDXWSCASJHHD-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-3-pyrazin-2-ylbutanoic acid

2-fluoro-3-pyrazin-2-ylbutanoic acid (PubChem CID 81357952) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-fluoro-3-pyrazin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-pyrazin-2-ylbutanoic acid
PubChem CID81357952
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-fluoro-3-pyrazin-2-ylbutanoic acid
SMILESCC(c1cnccn1)C(F)C(=O)O
InChIInChI=1S/C8H9FN2O2/c1-5(7(9)8(12)13)6-4-10-2-3-11-6/h2-5,7H,1H3,(H,12,13)
InChIKeyGSXDXWSCASJHHD-UHFFFAOYSA-N
XLogP1.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pyrazin-2-ylbutanoic acid?
The IUPAC name of 2-fluoro-3-pyrazin-2-ylbutanoic acid (CID 81357952) is 2-fluoro-3-pyrazin-2-ylbutanoic acid.
What is the SMILES notation for 2-fluoro-3-pyrazin-2-ylbutanoic acid?
The canonical SMILES for 2-fluoro-3-pyrazin-2-ylbutanoic acid is CC(c1cnccn1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-pyrazin-2-ylbutanoic acid?
The InChIKey is GSXDXWSCASJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5(7(9)8(12)13)6-4-10-2-3-11-6/h2-5,7H,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-pyrazin-2-ylbutanoic acid?
2-fluoro-3-pyrazin-2-ylbutanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyrazin-2-ylbutanoic acid is sourced from PubChem (CID 81357952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).