3,5-dibromo-2-piperidin-1-ylpyrazine

C9H11Br2N3 — CID 87370742

IUPAC3,5-dibromo-2-piperidin-1-ylpyrazine
SMILESBrc1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyHGIZYQXNOWPPKQ-UHFFFAOYSA-N
MW321.02 g/mol
LogP2.99
Rot. Bonds1

About 3,5-dibromo-2-piperidin-1-ylpyrazine

3,5-dibromo-2-piperidin-1-ylpyrazine (PubChem CID 87370742) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is 3,5-dibromo-2-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name3,5-dibromo-2-piperidin-1-ylpyrazine
PubChem CID87370742
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC Name3,5-dibromo-2-piperidin-1-ylpyrazine
SMILESBrc1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyHGIZYQXNOWPPKQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-2-piperidin-1-ylpyrazine 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 3,5-dibromo-2-piperidin-1-ylpyrazine?
The IUPAC name of 3,5-dibromo-2-piperidin-1-ylpyrazine (CID 87370742) is 3,5-dibromo-2-piperidin-1-ylpyrazine.
What is the SMILES notation for 3,5-dibromo-2-piperidin-1-ylpyrazine?
The canonical SMILES for 3,5-dibromo-2-piperidin-1-ylpyrazine is Brc1cnc(N2CCCCC2)c(Br)n1.
What is the InChIKey of 3,5-dibromo-2-piperidin-1-ylpyrazine?
The InChIKey is HGIZYQXNOWPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3/c10-7-6-12-9(8(11)13-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 3,5-dibromo-2-piperidin-1-ylpyrazine?
3,5-dibromo-2-piperidin-1-ylpyrazine has a molecular weight of 321.02 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-piperidin-1-ylpyrazine is sourced from PubChem (CID 87370742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).