2,6-diiodo-3,7-dimethylnaphthalene

C12H10I2 — CID 153291059

IUPAC2,6-diiodo-3,7-dimethylnaphthalene
SMILESCc1cc2cc(I)c(C)cc2cc1I
InChIInChI=1S/C12H10I2/c1-7-3-9-6-12(14)8(2)4-10(9)5-11(7)13/h3-6H,1-2H3
InChIKeyVXCHVNXZNDWHMN-UHFFFAOYSA-N
MW408.02 g/mol
LogP4.67
Rot. Bonds

About 2,6-diiodo-3,7-dimethylnaphthalene

2,6-diiodo-3,7-dimethylnaphthalene (PubChem CID 153291059) has the molecular formula C12H10I2 and a molecular weight of 408.02 g/mol. Its IUPAC name is 2,6-diiodo-3,7-dimethylnaphthalene.

Molecular Properties

Compound Name2,6-diiodo-3,7-dimethylnaphthalene
PubChem CID153291059
Molecular FormulaC12H10I2
Molecular Weight408.02 g/mol
Exact Mass407.89
IUPAC Name2,6-diiodo-3,7-dimethylnaphthalene
SMILESCc1cc2cc(I)c(C)cc2cc1I
InChIInChI=1S/C12H10I2/c1-7-3-9-6-12(14)8(2)4-10(9)5-11(7)13/h3-6H,1-2H3
InChIKeyVXCHVNXZNDWHMN-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.02
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-3,7-dimethylnaphthalene?
The IUPAC name of 2,6-diiodo-3,7-dimethylnaphthalene (CID 153291059) is 2,6-diiodo-3,7-dimethylnaphthalene.
What is the SMILES notation for 2,6-diiodo-3,7-dimethylnaphthalene?
The canonical SMILES for 2,6-diiodo-3,7-dimethylnaphthalene is Cc1cc2cc(I)c(C)cc2cc1I.
What is the InChIKey of 2,6-diiodo-3,7-dimethylnaphthalene?
The InChIKey is VXCHVNXZNDWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I2/c1-7-3-9-6-12(14)8(2)4-10(9)5-11(7)13/h3-6H,1-2H3.
What are the key properties of 2,6-diiodo-3,7-dimethylnaphthalene?
2,6-diiodo-3,7-dimethylnaphthalene has a molecular weight of 408.02 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-3,7-dimethylnaphthalene is sourced from PubChem (CID 153291059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).