6-bromonaphthalene-1,2-dione

C10H5BrO2 — CID 23384

IUPAC6-bromonaphthalene-1,2-dione
SMILESO=C1C=Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H
InChIKeyMXWZRRPNVLCHMY-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.23
Rot. Bonds

About 6-bromonaphthalene-1,2-dione

6-bromonaphthalene-1,2-dione (PubChem CID 23384) has the molecular formula C10H5BrO2 and a molecular weight of 237.05 g/mol. Its IUPAC name is 6-bromonaphthalene-1,2-dione.

Molecular Properties

Compound Name6-bromonaphthalene-1,2-dione
PubChem CID23384
Molecular FormulaC10H5BrO2
Molecular Weight237.05 g/mol
Exact Mass235.95
IUPAC Name6-bromonaphthalene-1,2-dione
SMILESO=C1C=Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H
InChIKeyMXWZRRPNVLCHMY-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 ≤ 500237.05
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalene-1,2-dione?
The IUPAC name of 6-bromonaphthalene-1,2-dione (CID 23384) is 6-bromonaphthalene-1,2-dione.
What is the SMILES notation for 6-bromonaphthalene-1,2-dione?
The canonical SMILES for 6-bromonaphthalene-1,2-dione is O=C1C=Cc2cc(Br)ccc2C1=O.
What is the InChIKey of 6-bromonaphthalene-1,2-dione?
The InChIKey is MXWZRRPNVLCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H.
What are the key properties of 6-bromonaphthalene-1,2-dione?
6-bromonaphthalene-1,2-dione has a molecular weight of 237.05 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 6-bromonaphthalene-1,2-dione is sourced from PubChem (CID 23384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).