2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine

C12H16FN3O3 — CID 155671819

IUPAC2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine
SMILESCCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16FN3O3/c1-2-19-10-3-5-15(6-4-10)12-11(16(17)18)7-9(13)8-14-12/h7-8,10H,2-6H2,1H3
InChIKeyHFVWEJPRXFXZBW-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine

2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine (PubChem CID 155671819) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine
PubChem CID155671819
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine
SMILESCCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16FN3O3/c1-2-19-10-3-5-15(6-4-10)12-11(16(17)18)7-9(13)8-14-12/h7-8,10H,2-6H2,1H3
InChIKeyHFVWEJPRXFXZBW-UHFFFAOYSA-N
XLogP2.13
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine (CID 155671819) is 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine is CCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine?
The InChIKey is HFVWEJPRXFXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-19-10-3-5-15(6-4-10)12-11(16(17)18)7-9(13)8-14-12/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine?
2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine has a molecular weight of 269.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-3-nitropyridine is sourced from PubChem (CID 155671819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).