methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate

C13H9ClFN3O3 — CID 175999287

IUPACmethyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H9ClFN3O3/c1-21-13(20)9-6-16-11(10(14)17-9)18-12(19)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,16,18,19)
InChIKeyUTHWBDNEPUZNHA-UHFFFAOYSA-N
MW309.68 g/mol
LogP2.31
Rot. Bonds3

About methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate

methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate (PubChem CID 175999287) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate
PubChem CID175999287
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Namemethyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H9ClFN3O3/c1-21-13(20)9-6-16-11(10(14)17-9)18-12(19)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,16,18,19)
InChIKeyUTHWBDNEPUZNHA-UHFFFAOYSA-N
XLogP2.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-chloro-5-[(4-fluorobenzoyl)amino]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-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate (CID 175999287) is methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate?
The InChIKey is UTHWBDNEPUZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c1-21-13(20)9-6-16-11(10(14)17-9)18-12(19)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,16,18,19).
What are the key properties of methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate?
methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate has a molecular weight of 309.68 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 175999287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).