[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol

C10H12N2O5 — CID 66652542

IUPAC[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol
SMILESO=[N+]([O-])c1cnccc1[C@@H]1OCC[C@H](CO)O1
InChIInChI=1S/C10H12N2O5/c13-6-7-2-4-16-10(17-7)8-1-3-11-5-9(8)12(14)15/h1,3,5,7,10,13H,2,4,6H2/t7-,10-/m1/s1
InChIKeyBUTKVODNELVHFJ-GMSGAONNSA-N
MW240.21 g/mol
LogP0.79
Rot. Bonds3

About [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol

[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol (PubChem CID 66652542) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol
PubChem CID66652542
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol
SMILESO=[N+]([O-])c1cnccc1[C@@H]1OCC[C@H](CO)O1
InChIInChI=1S/C10H12N2O5/c13-6-7-2-4-16-10(17-7)8-1-3-11-5-9(8)12(14)15/h1,3,5,7,10,13H,2,4,6H2/t7-,10-/m1/s1
InChIKeyBUTKVODNELVHFJ-GMSGAONNSA-N
XLogP0.79
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol (CID 66652542) is [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol is O=[N+]([O-])c1cnccc1[C@@H]1OCC[C@H](CO)O1.
What is the InChIKey of [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol?
The InChIKey is BUTKVODNELVHFJ-GMSGAONNSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-6-7-2-4-16-10(17-7)8-1-3-11-5-9(8)12(14)15/h1,3,5,7,10,13H,2,4,6H2/t7-,10-/m1/s1.
What are the key properties of [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol?
[(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol has a molecular weight of 240.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(3-nitro-4-pyridinyl)-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 66652542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).