5-iodonaphthalene-1,4-dione

C10H5IO2 — CID 11243074

IUPAC5-iodonaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(I)cccc21
InChIInChI=1S/C10H5IO2/c11-7-3-1-2-6-8(12)4-5-9(13)10(6)7/h1-5H
InChIKeyUCYMWXPEWAVMNX-UHFFFAOYSA-N
MW284.05 g/mol
LogP2.23
Rot. Bonds

About 5-iodonaphthalene-1,4-dione

5-iodonaphthalene-1,4-dione (PubChem CID 11243074) has the molecular formula C10H5IO2 and a molecular weight of 284.05 g/mol. Its IUPAC name is 5-iodonaphthalene-1,4-dione.

Molecular Properties

Compound Name5-iodonaphthalene-1,4-dione
PubChem CID11243074
Molecular FormulaC10H5IO2
Molecular Weight284.05 g/mol
Exact Mass283.93
IUPAC Name5-iodonaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(I)cccc21
InChIInChI=1S/C10H5IO2/c11-7-3-1-2-6-8(12)4-5-9(13)10(6)7/h1-5H
InChIKeyUCYMWXPEWAVMNX-UHFFFAOYSA-N
XLogP2.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.05
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodonaphthalene-1,4-dione?
The IUPAC name of 5-iodonaphthalene-1,4-dione (CID 11243074) is 5-iodonaphthalene-1,4-dione.
What is the SMILES notation for 5-iodonaphthalene-1,4-dione?
The canonical SMILES for 5-iodonaphthalene-1,4-dione is O=C1C=CC(=O)c2c(I)cccc21.
What is the InChIKey of 5-iodonaphthalene-1,4-dione?
The InChIKey is UCYMWXPEWAVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IO2/c11-7-3-1-2-6-8(12)4-5-9(13)10(6)7/h1-5H.
What are the key properties of 5-iodonaphthalene-1,4-dione?
5-iodonaphthalene-1,4-dione has a molecular weight of 284.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodonaphthalene-1,4-dione is sourced from PubChem (CID 11243074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).