methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate

C12H10FN3O2 — CID 57428014

IUPACmethyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)cnc1N
InChIInChI=1S/C12H10FN3O2/c1-18-12(17)10-11(14)15-6-9(16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15)
InChIKeyBWKAFDBJJJSRQD-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.65
Rot. Bonds2

About methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate (PubChem CID 57428014) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate
PubChem CID57428014
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Namemethyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)cnc1N
InChIInChI=1S/C12H10FN3O2/c1-18-12(17)10-11(14)15-6-9(16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15)
InChIKeyBWKAFDBJJJSRQD-UHFFFAOYSA-N
XLogP1.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate (CID 57428014) is methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc(F)cc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate?
The InChIKey is BWKAFDBJJJSRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-18-12(17)10-11(14)15-6-9(16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15).
What are the key properties of methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 57428014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).