3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid

C11H8FN3O2 — CID 59852410

IUPAC3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H8FN3O2/c12-7-3-1-2-6(4-7)8-5-14-10(13)9(15-8)11(16)17/h1-5H,(H2,13,14)(H,16,17)
InChIKeyHVXCUSJQMFTEKM-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.56
Rot. Bonds2

About 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid

3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid (PubChem CID 59852410) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid
PubChem CID59852410
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H8FN3O2/c12-7-3-1-2-6(4-7)8-5-14-10(13)9(15-8)11(16)17/h1-5H,(H2,13,14)(H,16,17)
InChIKeyHVXCUSJQMFTEKM-UHFFFAOYSA-N
XLogP1.56
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid (CID 59852410) is 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid is Nc1ncc(-c2cccc(F)c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is HVXCUSJQMFTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-3-1-2-6(4-7)8-5-14-10(13)9(15-8)11(16)17/h1-5H,(H2,13,14)(H,16,17).
What are the key properties of 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid?
3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-fluorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 59852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).