dihydroperoxy-(6-methoxy-3-pyridinyl)borane

C6H8BNO5 — CID 150170390

IUPACdihydroperoxy-(6-methoxy-3-pyridinyl)borane
SMILESCOc1ccc(B(OO)OO)cn1
InChIInChI=1S/C6H8BNO5/c1-11-6-3-2-5(4-8-6)7(12-9)13-10/h2-4,9-10H,1H3
InChIKeyFJHUEEOLFOKPTO-UHFFFAOYSA-N
MW184.94 g/mol
LogP-0.24
Rot. Bonds4

About dihydroperoxy-(6-methoxy-3-pyridinyl)borane

dihydroperoxy-(6-methoxy-3-pyridinyl)borane (PubChem CID 150170390) has the molecular formula C6H8BNO5 and a molecular weight of 184.94 g/mol. Its IUPAC name is dihydroperoxy-(6-methoxy-3-pyridinyl)borane.

Molecular Properties

Compound Namedihydroperoxy-(6-methoxy-3-pyridinyl)borane
PubChem CID150170390
Molecular FormulaC6H8BNO5
Molecular Weight184.94 g/mol
Exact Mass185.05
IUPAC Namedihydroperoxy-(6-methoxy-3-pyridinyl)borane
SMILESCOc1ccc(B(OO)OO)cn1
InChIInChI=1S/C6H8BNO5/c1-11-6-3-2-5(4-8-6)7(12-9)13-10/h2-4,9-10H,1H3
InChIKeyFJHUEEOLFOKPTO-UHFFFAOYSA-N
XLogP-0.24
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.94
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxypyridine
CID 2734895
CID 59248881
CID 59248881
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
[6-(2,2-dimethylpropoxy)-3-pyridinyl]boronic acid
CID 57460911
boric acid;3,6-dimethoxypyridazine
CID 139090617
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
CID 74890632

Frequently Asked Questions

What is the IUPAC name of dihydroperoxy-(6-methoxy-3-pyridinyl)borane?
The IUPAC name of dihydroperoxy-(6-methoxy-3-pyridinyl)borane (CID 150170390) is dihydroperoxy-(6-methoxy-3-pyridinyl)borane.
What is the SMILES notation for dihydroperoxy-(6-methoxy-3-pyridinyl)borane?
The canonical SMILES for dihydroperoxy-(6-methoxy-3-pyridinyl)borane is COc1ccc(B(OO)OO)cn1.
What is the InChIKey of dihydroperoxy-(6-methoxy-3-pyridinyl)borane?
The InChIKey is FJHUEEOLFOKPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO5/c1-11-6-3-2-5(4-8-6)7(12-9)13-10/h2-4,9-10H,1H3.
What are the key properties of dihydroperoxy-(6-methoxy-3-pyridinyl)borane?
dihydroperoxy-(6-methoxy-3-pyridinyl)borane has a molecular weight of 184.94 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroperoxy-(6-methoxy-3-pyridinyl)borane is sourced from PubChem (CID 150170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).