4-(2-oxopyrazin-1-yl)benzoic acid

C11H8N2O3 — CID 18453189

IUPAC4-(2-oxopyrazin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C11H8N2O3/c14-10-7-12-5-6-13(10)9-3-1-8(2-4-9)11(15)16/h1-7H,(H,15,16)
InChIKeyHKTRPHGEEAXTRE-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.93
Rot. Bonds2

About 4-(2-oxopyrazin-1-yl)benzoic acid

4-(2-oxopyrazin-1-yl)benzoic acid (PubChem CID 18453189) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-(2-oxopyrazin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxopyrazin-1-yl)benzoic acid
PubChem CID18453189
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-(2-oxopyrazin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C11H8N2O3/c14-10-7-12-5-6-13(10)9-3-1-8(2-4-9)11(15)16/h1-7H,(H,15,16)
InChIKeyHKTRPHGEEAXTRE-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrazin-1-yl)benzoic acid?
The IUPAC name of 4-(2-oxopyrazin-1-yl)benzoic acid (CID 18453189) is 4-(2-oxopyrazin-1-yl)benzoic acid.
What is the SMILES notation for 4-(2-oxopyrazin-1-yl)benzoic acid?
The canonical SMILES for 4-(2-oxopyrazin-1-yl)benzoic acid is O=C(O)c1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of 4-(2-oxopyrazin-1-yl)benzoic acid?
The InChIKey is HKTRPHGEEAXTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-7-12-5-6-13(10)9-3-1-8(2-4-9)11(15)16/h1-7H,(H,15,16).
What are the key properties of 4-(2-oxopyrazin-1-yl)benzoic acid?
4-(2-oxopyrazin-1-yl)benzoic acid has a molecular weight of 216.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrazin-1-yl)benzoic acid is sourced from PubChem (CID 18453189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).