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

C11H8ClN3O2 — CID 59263791

IUPAC3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2ccccc2Cl)nc1C(=O)O
InChIInChI=1S/C11H8ClN3O2/c12-7-4-2-1-3-6(7)8-5-14-10(13)9(15-8)11(16)17/h1-5H,(H2,13,14)(H,16,17)
InChIKeyNZPFZRNLMFVWDM-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.08
Rot. Bonds2

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

3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid (PubChem CID 59263791) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
PubChem CID59263791
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2ccccc2Cl)nc1C(=O)O
InChIInChI=1S/C11H8ClN3O2/c12-7-4-2-1-3-6(7)8-5-14-10(13)9(15-8)11(16)17/h1-5H,(H2,13,14)(H,16,17)
InChIKeyNZPFZRNLMFVWDM-UHFFFAOYSA-N
XLogP2.08
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid (CID 59263791) is 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid is Nc1ncc(-c2ccccc2Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is NZPFZRNLMFVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-4-2-1-3-6(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-(2-chlorophenyl)pyrazine-2-carboxylic acid?
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 249.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 59263791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).