6-bromopyrido[2,3-b]pyrazine

C7H4BrN3 — CID 54759071

IUPAC6-bromopyrido[2,3-b]pyrazine
SMILESBrc1ccc2nccnc2n1
InChIInChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
InChIKeyJLMAHBCUEYQXKS-UHFFFAOYSA-N
MW210.03 g/mol
LogP1.79
Rot. Bonds

About 6-bromopyrido[2,3-b]pyrazine

6-bromopyrido[2,3-b]pyrazine (PubChem CID 54759071) has the molecular formula C7H4BrN3 and a molecular weight of 210.03 g/mol. Its IUPAC name is 6-bromopyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-bromopyrido[2,3-b]pyrazine
PubChem CID54759071
Molecular FormulaC7H4BrN3
Molecular Weight210.03 g/mol
Exact Mass208.96
IUPAC Name6-bromopyrido[2,3-b]pyrazine
SMILESBrc1ccc2nccnc2n1
InChIInChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
InChIKeyJLMAHBCUEYQXKS-UHFFFAOYSA-N
XLogP1.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyrido[2,3-b]pyrazine?
The IUPAC name of 6-bromopyrido[2,3-b]pyrazine (CID 54759071) is 6-bromopyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-bromopyrido[2,3-b]pyrazine?
The canonical SMILES for 6-bromopyrido[2,3-b]pyrazine is Brc1ccc2nccnc2n1.
What is the InChIKey of 6-bromopyrido[2,3-b]pyrazine?
The InChIKey is JLMAHBCUEYQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H.
What are the key properties of 6-bromopyrido[2,3-b]pyrazine?
6-bromopyrido[2,3-b]pyrazine has a molecular weight of 210.03 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrido[2,3-b]pyrazine is sourced from PubChem (CID 54759071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).