5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

C9H10BrNO4 — CID 117441552

IUPAC5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNOCc1c(O)c(Br)cc2c1OCCO2
InChIInChI=1S/C9H10BrNO4/c10-6-3-7-9(14-2-1-13-7)5(4-15-11)8(6)12/h3,12H,1-2,4,11H2
InChIKeyZTWVOGKMIWYTTL-UHFFFAOYSA-N
MW276.09 g/mol
LogP1.32
Rot. Bonds2

About 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117441552) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117441552
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNOCc1c(O)c(Br)cc2c1OCCO2
InChIInChI=1S/C9H10BrNO4/c10-6-3-7-9(14-2-1-13-7)5(4-15-11)8(6)12/h3,12H,1-2,4,11H2
InChIKeyZTWVOGKMIWYTTL-UHFFFAOYSA-N
XLogP1.32
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminooxymethyl)-6-bromo-1,3-benzodioxol-5-ol
CID 117409291
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
3-(7-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanal
CID 117462715
O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117329921
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
8-bromo-6-(2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117487912
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
O-[2-(8-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethyl]hydroxylamine
CID 117491175
5-(1-aminopropan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464826
8-bromo-6-(isocyanatomethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117482887
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
5-(1-aminocyclopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84813480

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117441552) is 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is NOCc1c(O)c(Br)cc2c1OCCO2.
What is the InChIKey of 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is ZTWVOGKMIWYTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c10-6-3-7-9(14-2-1-13-7)5(4-15-11)8(6)12/h3,12H,1-2,4,11H2.
What are the key properties of 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol?
5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 276.09 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117441552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).