1,2-dibromo-4,8-diiodonaphthalene

C10H4Br2I2 — CID 141193260

IUPAC1,2-dibromo-4,8-diiodonaphthalene
SMILESBrc1cc(I)c2cccc(I)c2c1Br
InChIInChI=1S/C10H4Br2I2/c11-6-4-8(14)5-2-1-3-7(13)9(5)10(6)12/h1-4H
InChIKeySJHIFGXCIFWUEP-UHFFFAOYSA-N
MW537.76 g/mol
LogP5.57
Rot. Bonds

About 1,2-dibromo-4,8-diiodonaphthalene

1,2-dibromo-4,8-diiodonaphthalene (PubChem CID 141193260) has the molecular formula C10H4Br2I2 and a molecular weight of 537.76 g/mol. Its IUPAC name is 1,2-dibromo-4,8-diiodonaphthalene.

Molecular Properties

Compound Name1,2-dibromo-4,8-diiodonaphthalene
PubChem CID141193260
Molecular FormulaC10H4Br2I2
Molecular Weight537.76 g/mol
Exact Mass535.68
IUPAC Name1,2-dibromo-4,8-diiodonaphthalene
SMILESBrc1cc(I)c2cccc(I)c2c1Br
InChIInChI=1S/C10H4Br2I2/c11-6-4-8(14)5-2-1-3-7(13)9(5)10(6)12/h1-4H
InChIKeySJHIFGXCIFWUEP-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.76
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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6,7-dibromo-4-iodo-1-methylindole
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2-bromo-1-chloro-8-iodonaphthalene
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2-bromo-3-iodoaniline
CID 91873763
1,2-dibromo-5-fluoro-3-iodobenzene
CID 118830393
azane;1-bromo-2-iodobenzene
CID 139491171
bis(1,1'-biphenyl);1,2-dibromoperylene
CID 155342059
1,9,10-tribromoanthracene
CID 151469472
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-bromo-1,3,5-triiodobenzene
CID 71168194
1-bromo-2-iodobenzene;molecular nitrogen
CID 155706234
3,10-dibromoperylene
CID 11090875

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4,8-diiodonaphthalene?
The IUPAC name of 1,2-dibromo-4,8-diiodonaphthalene (CID 141193260) is 1,2-dibromo-4,8-diiodonaphthalene.
What is the SMILES notation for 1,2-dibromo-4,8-diiodonaphthalene?
The canonical SMILES for 1,2-dibromo-4,8-diiodonaphthalene is Brc1cc(I)c2cccc(I)c2c1Br.
What is the InChIKey of 1,2-dibromo-4,8-diiodonaphthalene?
The InChIKey is SJHIFGXCIFWUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2I2/c11-6-4-8(14)5-2-1-3-7(13)9(5)10(6)12/h1-4H.
What are the key properties of 1,2-dibromo-4,8-diiodonaphthalene?
1,2-dibromo-4,8-diiodonaphthalene has a molecular weight of 537.76 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4,8-diiodonaphthalene is sourced from PubChem (CID 141193260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).