4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid

C18H14N2O3 — CID 118723883

IUPAC4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESCOc1ccc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-15-8-6-13(7-9-15)17-11-19-10-16(20-17)12-2-4-14(5-3-12)18(21)22/h2-11H,1H3,(H,21,22)
InChIKeyXJMOAEHYWBQULN-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.52
Rot. Bonds4

About 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid

4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid (PubChem CID 118723883) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid
PubChem CID118723883
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESCOc1ccc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-15-8-6-13(7-9-15)17-11-19-10-16(20-17)12-2-4-14(5-3-12)18(21)22/h2-11H,1H3,(H,21,22)
InChIKeyXJMOAEHYWBQULN-UHFFFAOYSA-N
XLogP3.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid (CID 118723883) is 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid is COc1ccc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid?
The InChIKey is XJMOAEHYWBQULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-15-8-6-13(7-9-15)17-11-19-10-16(20-17)12-2-4-14(5-3-12)18(21)22/h2-11H,1H3,(H,21,22).
What are the key properties of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid?
4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 118723883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).