6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline

C9H4Br2N2O2 — CID 133056890

IUPAC6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline
SMILESBrc1nc2cc3c(cc2nc1Br)OCO3
InChIInChI=1S/C9H4Br2N2O2/c10-8-9(11)13-5-2-7-6(14-3-15-7)1-4(5)12-8/h1-2H,3H2
InChIKeyBMWFSJRSYRLKHM-UHFFFAOYSA-N
MW331.95 g/mol
LogP2.88
Rot. Bonds

About 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline

6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline (PubChem CID 133056890) has the molecular formula C9H4Br2N2O2 and a molecular weight of 331.95 g/mol. Its IUPAC name is 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline.

Molecular Properties

Compound Name6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline
PubChem CID133056890
Molecular FormulaC9H4Br2N2O2
Molecular Weight331.95 g/mol
Exact Mass329.86
IUPAC Name6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline
SMILESBrc1nc2cc3c(cc2nc1Br)OCO3
InChIInChI=1S/C9H4Br2N2O2/c10-8-9(11)13-5-2-7-6(14-3-15-7)1-4(5)12-8/h1-2H,3H2
InChIKeyBMWFSJRSYRLKHM-UHFFFAOYSA-N
XLogP2.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.95
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dichloro-[1,3]dioxolo[4,5-g]quinoxaline
CID 133062918
6-bromo-7-propan-2-yl-[1,3]dioxolo[4,5-g]quinoline
CID 39403172
3-chloro-[1,3]dioxolo[4,5-g][1,2,4]benzotriazine
CID 87855369
4-[6-bromo-7-(bromomethyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]-N,N-dimethylaniline
CID 87543954
6-(bromomethyl)-[1,3]dioxolo[4,5-g][3,1]benzoxazin-8-one
CID 15163670
6-(6-bromo-1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine
CID 172769014
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
6-methyl-8-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)disulfanyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 13085991
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845
N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562780

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline?
The IUPAC name of 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline (CID 133056890) is 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline.
What is the SMILES notation for 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline?
The canonical SMILES for 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline is Brc1nc2cc3c(cc2nc1Br)OCO3.
What is the InChIKey of 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline?
The InChIKey is BMWFSJRSYRLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2N2O2/c10-8-9(11)13-5-2-7-6(14-3-15-7)1-4(5)12-8/h1-2H,3H2.
What are the key properties of 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline?
6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline has a molecular weight of 331.95 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-[1,3]dioxolo[4,5-g]quinoxaline is sourced from PubChem (CID 133056890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).