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

C11H14FN3O3 — CID 122152928

IUPAC3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine
SMILESCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C11H14FN3O3/c1-18-9-2-4-14(5-3-9)11-10(12)6-8(7-13-11)15(16)17/h6-7,9H,2-5H2,1H3
InChIKeyDPXVGXABJORSQU-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.74
Rot. Bonds3

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

3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine (PubChem CID 122152928) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine
PubChem CID122152928
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine
SMILESCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C11H14FN3O3/c1-18-9-2-4-14(5-3-9)11-10(12)6-8(7-13-11)15(16)17/h6-7,9H,2-5H2,1H3
InChIKeyDPXVGXABJORSQU-UHFFFAOYSA-N
XLogP1.74
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.74
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 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine?
The IUPAC name of 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine (CID 122152928) is 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine.
What is the SMILES notation for 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine?
The canonical SMILES for 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine is COC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1.
What is the InChIKey of 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine?
The InChIKey is DPXVGXABJORSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-18-9-2-4-14(5-3-9)11-10(12)6-8(7-13-11)15(16)17/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine?
3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine has a molecular weight of 255.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxypiperidin-1-yl)-5-nitropyridine is sourced from PubChem (CID 122152928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).