5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole

C9H6Br2O2 — CID 166445962

IUPAC5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole
SMILESBr/C=C\c1cc2c(cc1Br)OCO2
InChIInChI=1S/C9H6Br2O2/c10-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h1-4H,5H2/b2-1-
InChIKeyJMYQYNHHKJPFMP-UPHRSURJSA-N
MW305.95 g/mol
LogP3.54
Rot. Bonds1

About 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole

5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole (PubChem CID 166445962) has the molecular formula C9H6Br2O2 and a molecular weight of 305.95 g/mol. Its IUPAC name is 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole
PubChem CID166445962
Molecular FormulaC9H6Br2O2
Molecular Weight305.95 g/mol
Exact Mass303.87
IUPAC Name5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole
SMILESBr/C=C\c1cc2c(cc1Br)OCO2
InChIInChI=1S/C9H6Br2O2/c10-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h1-4H,5H2/b2-1-
InChIKeyJMYQYNHHKJPFMP-UPHRSURJSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.95
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
CID 5358632
(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-ol
CID 6446427
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine
CID 11054766
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
(Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 126371449
(E)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-bromophenyl)-N,N-dimethylethenamine
CID 10598453
4-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]benzonitrile
CID 18076906
6-bromo-1,3-benzodioxole-5-carbaldehyde;5-bromo-6-nitro-1,3-benzodioxole
CID 158841753
(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 88567097
(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058519
(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2253111
2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3-one
CID 1001299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The IUPAC name of 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole (CID 166445962) is 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The canonical SMILES for 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole is Br/C=C\c1cc2c(cc1Br)OCO2.
What is the InChIKey of 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The InChIKey is JMYQYNHHKJPFMP-UPHRSURJSA-N. The full InChI is InChI=1S/C9H6Br2O2/c10-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h1-4H,5H2/b2-1-.
What are the key properties of 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole has a molecular weight of 305.95 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole is sourced from PubChem (CID 166445962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).