5,8-dibromopyrido[3,4-b]pyrazine

C7H3Br2N3 — CID 102025171

IUPAC5,8-dibromopyrido[3,4-b]pyrazine
SMILESBrc1cnc(Br)c2nccnc12
InChIInChI=1S/C7H3Br2N3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H
InChIKeyWDIQZKROTCIZTP-UHFFFAOYSA-N
MW288.93 g/mol
LogP2.55
Rot. Bonds

About 5,8-dibromopyrido[3,4-b]pyrazine

5,8-dibromopyrido[3,4-b]pyrazine (PubChem CID 102025171) has the molecular formula C7H3Br2N3 and a molecular weight of 288.93 g/mol. Its IUPAC name is 5,8-dibromopyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5,8-dibromopyrido[3,4-b]pyrazine
PubChem CID102025171
Molecular FormulaC7H3Br2N3
Molecular Weight288.93 g/mol
Exact Mass286.87
IUPAC Name5,8-dibromopyrido[3,4-b]pyrazine
SMILESBrc1cnc(Br)c2nccnc12
InChIInChI=1S/C7H3Br2N3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H
InChIKeyWDIQZKROTCIZTP-UHFFFAOYSA-N
XLogP2.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.93
LogP ≤ 52.55
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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Related Compounds

5,8-dibromo-2,3-diheptylpyrido[3,4-b]pyrazine
CID 100969496
5,8-dibromo-2,3-dihexylpyrido[3,4-b]pyrazine
CID 71427074
4,8-dibromo-1,6-naphthyridine
CID 12520140
5,10-dimethylidenepyrazino[2,3-g]quinoxaline
CID 20710137
(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
CID 169259557
2,5-dibromo-4-fluoropyridin-3-amine
CID 135396297
5-bromo-8-cyclopropylquinoxaline
CID 172993584
2,4,5-tribromopyridine-3-carbaldehyde
CID 169113247
5-bromo-8-isocyanatoquinoxaline
CID 169352056
4,5,8-tribromoquinoline
CID 114764035
5-bromo-7-methylquinoxaline
CID 45117463
6-bromo-5-fluoroquinoxaline
CID 154729420

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromopyrido[3,4-b]pyrazine?
The IUPAC name of 5,8-dibromopyrido[3,4-b]pyrazine (CID 102025171) is 5,8-dibromopyrido[3,4-b]pyrazine.
What is the SMILES notation for 5,8-dibromopyrido[3,4-b]pyrazine?
The canonical SMILES for 5,8-dibromopyrido[3,4-b]pyrazine is Brc1cnc(Br)c2nccnc12.
What is the InChIKey of 5,8-dibromopyrido[3,4-b]pyrazine?
The InChIKey is WDIQZKROTCIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H.
What are the key properties of 5,8-dibromopyrido[3,4-b]pyrazine?
5,8-dibromopyrido[3,4-b]pyrazine has a molecular weight of 288.93 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromopyrido[3,4-b]pyrazine is sourced from PubChem (CID 102025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).