methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate

C12H9F2N3O2 — CID 86726788

IUPACmethyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2c(F)cccc2F)cnc1N
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)10-11(15)16-5-8(17-10)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,16)
InChIKeyOBTLBKBGCANPMI-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.79
Rot. Bonds2

About methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate (PubChem CID 86726788) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate
PubChem CID86726788
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Namemethyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2c(F)cccc2F)cnc1N
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)10-11(15)16-5-8(17-10)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,16)
InChIKeyOBTLBKBGCANPMI-UHFFFAOYSA-N
XLogP1.79
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-6-(2,6-difluorophenyl)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-(2,6-difluorophenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate (CID 86726788) is methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2c(F)cccc2F)cnc1N.
What is the InChIKey of methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate?
The InChIKey is OBTLBKBGCANPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c1-19-12(18)10-11(15)16-5-8(17-10)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,16).
What are the key properties of methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 1.79, 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-(2,6-difluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 86726788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).