methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate

C10H9BrClN3O3 — CID 168694974

IUPACmethyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cnc(Br)c(Cl)n2)C1
InChIInChI=1S/C10H9BrClN3O3/c1-18-10(17)5-2-7(16)15(4-5)6-3-13-8(11)9(12)14-6/h3,5H,2,4H2,1H3
InChIKeyCJUAXARVQQKLTD-UHFFFAOYSA-N
MW334.56 g/mol
LogP1.42
Rot. Bonds2

About methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694974) has the molecular formula C10H9BrClN3O3 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168694974
Molecular FormulaC10H9BrClN3O3
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cnc(Br)c(Cl)n2)C1
InChIInChI=1S/C10H9BrClN3O3/c1-18-10(17)5-2-7(16)15(4-5)6-3-13-8(11)9(12)14-6/h3,5H,2,4H2,1H3
InChIKeyCJUAXARVQQKLTD-UHFFFAOYSA-N
XLogP1.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694945
methyl 1-(4-bromo-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694777
methyl 1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694987
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693538
methyl 1-(4,6-dichloro-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695406
methyl 1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693793
methyl 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694430
methyl 1-(6-bromo-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693835
methyl 1-(4-amino-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694919
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(2-amino-4,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694490

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 168694974) is methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cnc(Br)c(Cl)n2)C1.
What is the InChIKey of methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CJUAXARVQQKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O3/c1-18-10(17)5-2-7(16)15(4-5)6-3-13-8(11)9(12)14-6/h3,5H,2,4H2,1H3.
What are the key properties of methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 334.56 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).