methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate

C10H12BrN3O3 — CID 87498701

IUPACmethyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCOCC2)c(Br)n1
InChIInChI=1S/C10H12BrN3O3/c1-16-10(15)7-6-12-9(8(11)13-7)14-2-4-17-5-3-14/h6H,2-5H2,1H3
InChIKeyUVOWUDCCSQGZQC-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.86
Rot. Bonds2

About methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate

methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate (PubChem CID 87498701) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate
PubChem CID87498701
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Namemethyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCOCC2)c(Br)n1
InChIInChI=1S/C10H12BrN3O3/c1-16-10(15)7-6-12-9(8(11)13-7)14-2-4-17-5-3-14/h6H,2-5H2,1H3
InChIKeyUVOWUDCCSQGZQC-UHFFFAOYSA-N
XLogP0.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-bromo-5-morpholin-4-ylpyrazine-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-5-morpholin-4-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate (CID 87498701) is methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate is COC(=O)c1cnc(N2CCOCC2)c(Br)n1.
What is the InChIKey of methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate?
The InChIKey is UVOWUDCCSQGZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c1-16-10(15)7-6-12-9(8(11)13-7)14-2-4-17-5-3-14/h6H,2-5H2,1H3.
What are the key properties of methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate?
methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate has a molecular weight of 302.13 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-morpholin-4-ylpyrazine-2-carboxylate is sourced from PubChem (CID 87498701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).