3,5-dibromoazulene-1,7-dione

C10H4Br2O2 — CID 10860026

IUPAC3,5-dibromoazulene-1,7-dione
SMILESO=C1C=C(Br)c2cc(Br)cc(=O)cc21
InChIInChI=1S/C10H4Br2O2/c11-5-1-6(13)3-8-7(2-5)9(12)4-10(8)14/h1-4H
InChIKeyAOYQDYDMRQFOLE-UHFFFAOYSA-N
MW315.95 g/mol
LogP2.74
Rot. Bonds

About 3,5-dibromoazulene-1,7-dione

3,5-dibromoazulene-1,7-dione (PubChem CID 10860026) has the molecular formula C10H4Br2O2 and a molecular weight of 315.95 g/mol. Its IUPAC name is 3,5-dibromoazulene-1,7-dione.

Molecular Properties

Compound Name3,5-dibromoazulene-1,7-dione
PubChem CID10860026
Molecular FormulaC10H4Br2O2
Molecular Weight315.95 g/mol
Exact Mass313.86
IUPAC Name3,5-dibromoazulene-1,7-dione
SMILESO=C1C=C(Br)c2cc(Br)cc(=O)cc21
InChIInChI=1S/C10H4Br2O2/c11-5-1-6(13)3-8-7(2-5)9(12)4-10(8)14/h1-4H
InChIKeyAOYQDYDMRQFOLE-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.95
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azulene-1,7-dione
CID 13303239
Azulene-1,5-dione
CID 2751909
3-Bromoazulene-1,5-dione
CID 10900648
1,5-Azulenedione, 3,7-dibromo-
CID 11726819
1,7-Azulenedione, 3-bromo-
CID 11053666
Dibromtoluchinon
CID 129647461
(3aE,5Z,9E)-1-bromo-7H-cyclopenta[8]annulene-3,8-dione
CID 15482878
3-Bromo-8-methylazulene-1,7-dione
CID 15482880
3-Bromo-2-methylazulene-1,7-dione
CID 15195190
3-Bromo-5-propan-2-ylazulene-1,7-dione
CID 15195197
3-Bromo-6-propan-2-ylazulene-1,7-dione
CID 15195200
3-Bromo-2-methyl-5-propan-2-ylazulene-1,7-dione
CID 15195203

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromoazulene-1,7-dione?
The IUPAC name of 3,5-dibromoazulene-1,7-dione (CID 10860026) is 3,5-dibromoazulene-1,7-dione.
What is the SMILES notation for 3,5-dibromoazulene-1,7-dione?
The canonical SMILES for 3,5-dibromoazulene-1,7-dione is O=C1C=C(Br)c2cc(Br)cc(=O)cc21.
What is the InChIKey of 3,5-dibromoazulene-1,7-dione?
The InChIKey is AOYQDYDMRQFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2O2/c11-5-1-6(13)3-8-7(2-5)9(12)4-10(8)14/h1-4H.
What are the key properties of 3,5-dibromoazulene-1,7-dione?
3,5-dibromoazulene-1,7-dione has a molecular weight of 315.95 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromoazulene-1,7-dione is sourced from PubChem (CID 10860026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).