6-bromo-4,5-dimethoxyisoindole-1,3-dione

C10H8BrNO4 — CID 154575039

IUPAC6-bromo-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1c(Br)cc2c(c1OC)C(=O)NC2=O
InChIInChI=1S/C10H8BrNO4/c1-15-7-5(11)3-4-6(8(7)16-2)10(14)12-9(4)13/h3H,1-2H3,(H,12,13,14)
InChIKeyHZCZFZGDXSLHNW-UHFFFAOYSA-N
MW286.08 g/mol
LogP1.35
Rot. Bonds2

About 6-bromo-4,5-dimethoxyisoindole-1,3-dione

6-bromo-4,5-dimethoxyisoindole-1,3-dione (PubChem CID 154575039) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 6-bromo-4,5-dimethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name6-bromo-4,5-dimethoxyisoindole-1,3-dione
PubChem CID154575039
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name6-bromo-4,5-dimethoxyisoindole-1,3-dione
SMILESCOc1c(Br)cc2c(c1OC)C(=O)NC2=O
InChIInChI=1S/C10H8BrNO4/c1-15-7-5(11)3-4-6(8(7)16-2)10(14)12-9(4)13/h3H,1-2H3,(H,12,13,14)
InChIKeyHZCZFZGDXSLHNW-UHFFFAOYSA-N
XLogP1.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybenzo[f]isoindole-1,3-dione
CID 11775900
4-amino-5-(3-bromo-5-chloro-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328241
6-methoxy-4-methylisoindole-1,3-dione
CID 66672340
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10641823
5-bromo-4-methoxy-1H-indole-2,3-dione
CID 14595060
1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
CID 82630867
5,6-dimethoxy-4-(4-methoxyphenyl)benzo[f]isoindole-1,3-dione
CID 19353223
5-methylbenzo[e]isoindole-1,3-dione
CID 132606674
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-5-bromo-4-methoxybenzonitrile
CID 169330728
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 21215971
4-amino-5-(4-methoxy-3,5-dinitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331377
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,5-dimethoxyisoindole-1,3-dione?
The IUPAC name of 6-bromo-4,5-dimethoxyisoindole-1,3-dione (CID 154575039) is 6-bromo-4,5-dimethoxyisoindole-1,3-dione.
What is the SMILES notation for 6-bromo-4,5-dimethoxyisoindole-1,3-dione?
The canonical SMILES for 6-bromo-4,5-dimethoxyisoindole-1,3-dione is COc1c(Br)cc2c(c1OC)C(=O)NC2=O.
What is the InChIKey of 6-bromo-4,5-dimethoxyisoindole-1,3-dione?
The InChIKey is HZCZFZGDXSLHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c1-15-7-5(11)3-4-6(8(7)16-2)10(14)12-9(4)13/h3H,1-2H3,(H,12,13,14).
What are the key properties of 6-bromo-4,5-dimethoxyisoindole-1,3-dione?
6-bromo-4,5-dimethoxyisoindole-1,3-dione has a molecular weight of 286.08 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,5-dimethoxyisoindole-1,3-dione is sourced from PubChem (CID 154575039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).