3-phenylpyrazine-2-carboxylate

C11H7N2O2- — CID 35549380

IUPAC3-phenylpyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1-c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)/p-1
InChIKeyDQLZTJMUULVRNZ-UHFFFAOYSA-M
MW199.19 g/mol
LogP0.51
Rot. Bonds2

About 3-phenylpyrazine-2-carboxylate

3-phenylpyrazine-2-carboxylate (PubChem CID 35549380) has the molecular formula C11H7N2O2- and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Name3-phenylpyrazine-2-carboxylate
PubChem CID35549380
Molecular FormulaC11H7N2O2-
Molecular Weight199.19 g/mol
Exact Mass199.05
IUPAC Name3-phenylpyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1-c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)/p-1
InChIKeyDQLZTJMUULVRNZ-UHFFFAOYSA-M
XLogP0.51
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenylpyrazine-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 3-phenylpyrazine-2-carboxylate?
The IUPAC name of 3-phenylpyrazine-2-carboxylate (CID 35549380) is 3-phenylpyrazine-2-carboxylate.
What is the SMILES notation for 3-phenylpyrazine-2-carboxylate?
The canonical SMILES for 3-phenylpyrazine-2-carboxylate is O=C([O-])c1nccnc1-c1ccccc1.
What is the InChIKey of 3-phenylpyrazine-2-carboxylate?
The InChIKey is DQLZTJMUULVRNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)/p-1.
What are the key properties of 3-phenylpyrazine-2-carboxylate?
3-phenylpyrazine-2-carboxylate has a molecular weight of 199.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 35549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).