2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol

C12H15FN2O5 — CID 141321126

IUPAC2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol
SMILESCC1(F)OC(c2ccncc2[N+](=O)[O-])CC(O)C1(C)O
InChIInChI=1S/C12H15FN2O5/c1-11(17)10(16)5-9(20-12(11,2)13)7-3-4-14-6-8(7)15(18)19/h3-4,6,9-10,16-17H,5H2,1-2H3
InChIKeyFYLVWYJVKWASPE-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.25
Rot. Bonds2

About 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol

2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol (PubChem CID 141321126) has the molecular formula C12H15FN2O5 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol
PubChem CID141321126
Molecular FormulaC12H15FN2O5
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol
SMILESCC1(F)OC(c2ccncc2[N+](=O)[O-])CC(O)C1(C)O
InChIInChI=1S/C12H15FN2O5/c1-11(17)10(16)5-9(20-12(11,2)13)7-3-4-14-6-8(7)15(18)19/h3-4,6,9-10,16-17H,5H2,1-2H3
InChIKeyFYLVWYJVKWASPE-UHFFFAOYSA-N
XLogP1.25
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The IUPAC name of 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol (CID 141321126) is 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The canonical SMILES for 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol is CC1(F)OC(c2ccncc2[N+](=O)[O-])CC(O)C1(C)O.
What is the InChIKey of 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
The InChIKey is FYLVWYJVKWASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5/c1-11(17)10(16)5-9(20-12(11,2)13)7-3-4-14-6-8(7)15(18)19/h3-4,6,9-10,16-17H,5H2,1-2H3.
What are the key properties of 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol?
2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol has a molecular weight of 286.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol is sourced from PubChem (CID 141321126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).