methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate

C12H9FN2O3 — CID 170694441

IUPACmethyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
SMILESCOC(=O)c1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)10-11(16)15(7-6-14-10)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyGYYRRLQSNDPWDP-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.16
Rot. Bonds2

About methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate

methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate (PubChem CID 170694441) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
PubChem CID170694441
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Namemethyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
SMILESCOC(=O)c1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)10-11(16)15(7-6-14-10)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyGYYRRLQSNDPWDP-UHFFFAOYSA-N
XLogP1.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-fluorophenyl)-3-oxopyrazine-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 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate (CID 170694441) is methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate is COC(=O)c1nccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate?
The InChIKey is GYYRRLQSNDPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-18-12(17)10-11(16)15(7-6-14-10)9-4-2-8(13)3-5-9/h2-7H,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate?
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate is sourced from PubChem (CID 170694441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).