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

C8H9FN2O3 — CID 79366271

IUPAC2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid
SMILESCC(O)(c1cnccn1)C(F)C(=O)O
InChIInChI=1S/C8H9FN2O3/c1-8(14,6(9)7(12)13)5-4-10-2-3-11-5/h2-4,6,14H,1H3,(H,12,13)
InChIKeyXYFMXXNWMCZMCF-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.11
Rot. Bonds3

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

2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid (PubChem CID 79366271) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid
PubChem CID79366271
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid
SMILESCC(O)(c1cnccn1)C(F)C(=O)O
InChIInChI=1S/C8H9FN2O3/c1-8(14,6(9)7(12)13)5-4-10-2-3-11-5/h2-4,6,14H,1H3,(H,12,13)
InChIKeyXYFMXXNWMCZMCF-UHFFFAOYSA-N
XLogP0.11
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid (CID 79366271) is 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid is CC(O)(c1cnccn1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid?
The InChIKey is XYFMXXNWMCZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-8(14,6(9)7(12)13)5-4-10-2-3-11-5/h2-4,6,14H,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid?
2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid has a molecular weight of 200.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoic acid is sourced from PubChem (CID 79366271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).