2-fluoro-5-pyrazin-2-ylbenzoic acid

C11H7FN2O2 — CID 63968156

IUPAC2-fluoro-5-pyrazin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cnccn2)ccc1F
InChIInChI=1S/C11H7FN2O2/c12-9-2-1-7(5-8(9)11(15)16)10-6-13-3-4-14-10/h1-6H,(H,15,16)
InChIKeyPNPMTQRHVYOJKD-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.98
Rot. Bonds2

About 2-fluoro-5-pyrazin-2-ylbenzoic acid

2-fluoro-5-pyrazin-2-ylbenzoic acid (PubChem CID 63968156) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-fluoro-5-pyrazin-2-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-pyrazin-2-ylbenzoic acid
PubChem CID63968156
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name2-fluoro-5-pyrazin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cnccn2)ccc1F
InChIInChI=1S/C11H7FN2O2/c12-9-2-1-7(5-8(9)11(15)16)10-6-13-3-4-14-10/h1-6H,(H,15,16)
InChIKeyPNPMTQRHVYOJKD-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyrazin-2-ylbenzoic acid?
The IUPAC name of 2-fluoro-5-pyrazin-2-ylbenzoic acid (CID 63968156) is 2-fluoro-5-pyrazin-2-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-pyrazin-2-ylbenzoic acid?
The canonical SMILES for 2-fluoro-5-pyrazin-2-ylbenzoic acid is O=C(O)c1cc(-c2cnccn2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrazin-2-ylbenzoic acid?
The InChIKey is PNPMTQRHVYOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-9-2-1-7(5-8(9)11(15)16)10-6-13-3-4-14-10/h1-6H,(H,15,16).
What are the key properties of 2-fluoro-5-pyrazin-2-ylbenzoic acid?
2-fluoro-5-pyrazin-2-ylbenzoic acid has a molecular weight of 218.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrazin-2-ylbenzoic acid is sourced from PubChem (CID 63968156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).