6-(3-nitro-4-pyridinyl)oxane-3,4-diol

C10H12N2O5 — CID 123522109

IUPAC6-(3-nitro-4-pyridinyl)oxane-3,4-diol
SMILESO=[N+]([O-])c1cnccc1C1CC(O)C(O)CO1
InChIInChI=1S/C10H12N2O5/c13-8-3-10(17-5-9(8)14)6-1-2-11-4-7(6)12(15)16/h1-2,4,8-10,13-14H,3,5H2
InChIKeySQCFPJFPJNKJNK-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds2

About 6-(3-nitro-4-pyridinyl)oxane-3,4-diol

6-(3-nitro-4-pyridinyl)oxane-3,4-diol (PubChem CID 123522109) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 6-(3-nitro-4-pyridinyl)oxane-3,4-diol.

Molecular Properties

Compound Name6-(3-nitro-4-pyridinyl)oxane-3,4-diol
PubChem CID123522109
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name6-(3-nitro-4-pyridinyl)oxane-3,4-diol
SMILESO=[N+]([O-])c1cnccc1C1CC(O)C(O)CO1
InChIInChI=1S/C10H12N2O5/c13-8-3-10(17-5-9(8)14)6-1-2-11-4-7(6)12(15)16/h1-2,4,8-10,13-14H,3,5H2
InChIKeySQCFPJFPJNKJNK-UHFFFAOYSA-N
XLogP0.17
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxan-4-ol
CID 77241027
2-(3-nitro-4-pyridinyl)oxan-3-ol
CID 123660818
[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol
CID 66652542
(2R,3R,6R)-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxan-4-one
CID 67208262
4-(1,1-dimethylaziridin-1-ium-2-yl)-3-nitropyridine
CID 87745498
CID 163725713
CID 163725713
[5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]octan-7-yl] acetate
CID 66652626
[3-ethyl-3-hydroxy-2-methyl-6-(3-nitro-4-pyridinyl)oxan-4-yl] acetate
CID 66652442
3-nitro-4-[(2S,4S)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]pyridine
CID 66655554
4-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-methyl-6-(3-nitro-4-pyridinyl)oxan-3-ol
CID 131740657
3-nitro-4-[(2R,3S,4S,5R,6R)-3,4,5,6-tetramethyloxan-2-yl]pyridine;3-nitro-4-[(2R,3S,4S,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]pyridine
CID 162194409
triethyl-[[(5R)-8-methyl-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]oct-7-en-7-yl]oxy]silane
CID 66652518

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The IUPAC name of 6-(3-nitro-4-pyridinyl)oxane-3,4-diol (CID 123522109) is 6-(3-nitro-4-pyridinyl)oxane-3,4-diol.
What is the SMILES notation for 6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The canonical SMILES for 6-(3-nitro-4-pyridinyl)oxane-3,4-diol is O=[N+]([O-])c1cnccc1C1CC(O)C(O)CO1.
What is the InChIKey of 6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The InChIKey is SQCFPJFPJNKJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-8-3-10(17-5-9(8)14)6-1-2-11-4-7(6)12(15)16/h1-2,4,8-10,13-14H,3,5H2.
What are the key properties of 6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
6-(3-nitro-4-pyridinyl)oxane-3,4-diol has a molecular weight of 240.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitro-4-pyridinyl)oxane-3,4-diol is sourced from PubChem (CID 123522109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).