methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate

C10H9BrFN3O5S — CID 168713970

IUPACmethyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9BrFN3O5S/c1-20-10(17)8-9(13-3-6(11)14-8)15-4-5(2-7(15)16)21(12,18)19/h3,5H,2,4H2,1H3
InChIKeyAPJBBHCGLFEKAW-UHFFFAOYSA-N
MW382.17 g/mol
LogP0.43
Rot. Bonds3

About methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 168713970) has the molecular formula C10H9BrFN3O5S and a molecular weight of 382.17 g/mol. Its IUPAC name is methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID168713970
Molecular FormulaC10H9BrFN3O5S
Molecular Weight382.17 g/mol
Exact Mass380.94
IUPAC Namemethyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9BrFN3O5S/c1-20-10(17)8-9(13-3-6(11)14-8)15-4-5(2-7(15)16)21(12,18)19/h3,5H,2,4H2,1H3
InChIKeyAPJBBHCGLFEKAW-UHFFFAOYSA-N
XLogP0.43
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)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 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate (CID 168713970) is methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1nc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is APJBBHCGLFEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O5S/c1-20-10(17)8-9(13-3-6(11)14-8)15-4-5(2-7(15)16)21(12,18)19/h3,5H,2,4H2,1H3.
What are the key properties of methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 382.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 168713970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).