2,3-dibromo-1,8-naphthyridine

C8H4Br2N2 — CID 4738393

IUPAC2,3-dibromo-1,8-naphthyridine
SMILESBrc1cc2cccnc2nc1Br
InChIInChI=1S/C8H4Br2N2/c9-6-4-5-2-1-3-11-8(5)12-7(6)10/h1-4H
InChIKeyLZRRFDUORMALBZ-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.15
Rot. Bonds

About 2,3-dibromo-1,8-naphthyridine

2,3-dibromo-1,8-naphthyridine (PubChem CID 4738393) has the molecular formula C8H4Br2N2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 2,3-dibromo-1,8-naphthyridine.

Molecular Properties

Compound Name2,3-dibromo-1,8-naphthyridine
PubChem CID4738393
Molecular FormulaC8H4Br2N2
Molecular Weight287.94 g/mol
Exact Mass285.87
IUPAC Name2,3-dibromo-1,8-naphthyridine
SMILESBrc1cc2cccnc2nc1Br
InChIInChI=1S/C8H4Br2N2/c9-6-4-5-2-1-3-11-8(5)12-7(6)10/h1-4H
InChIKeyLZRRFDUORMALBZ-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-dibromo-1,8-naphthyridine?
The IUPAC name of 2,3-dibromo-1,8-naphthyridine (CID 4738393) is 2,3-dibromo-1,8-naphthyridine.
What is the SMILES notation for 2,3-dibromo-1,8-naphthyridine?
The canonical SMILES for 2,3-dibromo-1,8-naphthyridine is Brc1cc2cccnc2nc1Br.
What is the InChIKey of 2,3-dibromo-1,8-naphthyridine?
The InChIKey is LZRRFDUORMALBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2/c9-6-4-5-2-1-3-11-8(5)12-7(6)10/h1-4H.
What are the key properties of 2,3-dibromo-1,8-naphthyridine?
2,3-dibromo-1,8-naphthyridine has a molecular weight of 287.94 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,8-naphthyridine is sourced from PubChem (CID 4738393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).