3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid

C12H10FN3O3 — CID 170459059

IUPAC3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(N)c(C(=O)O)n2)c1F
InChIInChI=1S/C12H10FN3O3/c1-19-8-4-2-3-6(9(8)13)7-5-15-11(14)10(16-7)12(17)18/h2-5H,1H3,(H2,14,15)(H,17,18)
InChIKeyHSRZIMJQCPPOJH-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid

3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid (PubChem CID 170459059) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid
PubChem CID170459059
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(N)c(C(=O)O)n2)c1F
InChIInChI=1S/C12H10FN3O3/c1-19-8-4-2-3-6(9(8)13)7-5-15-11(14)10(16-7)12(17)18/h2-5H,1H3,(H2,14,15)(H,17,18)
InChIKeyHSRZIMJQCPPOJH-UHFFFAOYSA-N
XLogP1.57
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid (CID 170459059) is 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid is COc1cccc(-c2cnc(N)c(C(=O)O)n2)c1F.
What is the InChIKey of 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid?
The InChIKey is HSRZIMJQCPPOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-8-4-2-3-6(9(8)13)7-5-15-11(14)10(16-7)12(17)18/h2-5H,1H3,(H2,14,15)(H,17,18).
What are the key properties of 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid?
3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid has a molecular weight of 263.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-fluoro-3-methoxyphenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 170459059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).