6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid

C11H13FN4O4 — CID 67957667

IUPAC6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESNc1nc(N2CCC(F)CC2)c(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN4O4/c12-6-1-3-15(4-2-6)10-7(11(17)18)5-8(16(19)20)9(13)14-10/h5-6H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyNVZPCENECAYZAY-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.21
Rot. Bonds3

About 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid

6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid (PubChem CID 67957667) has the molecular formula C11H13FN4O4 and a molecular weight of 284.25 g/mol. Its IUPAC name is 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
PubChem CID67957667
Molecular FormulaC11H13FN4O4
Molecular Weight284.25 g/mol
Exact Mass284.09
IUPAC Name6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESNc1nc(N2CCC(F)CC2)c(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN4O4/c12-6-1-3-15(4-2-6)10-7(11(17)18)5-8(16(19)20)9(13)14-10/h5-6H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyNVZPCENECAYZAY-UHFFFAOYSA-N
XLogP1.21
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.21
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 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid (CID 67957667) is 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid is Nc1nc(N2CCC(F)CC2)c(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid?
The InChIKey is NVZPCENECAYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O4/c12-6-1-3-15(4-2-6)10-7(11(17)18)5-8(16(19)20)9(13)14-10/h5-6H,1-4H2,(H2,13,14)(H,17,18).
What are the key properties of 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid?
6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid has a molecular weight of 284.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-fluoropiperidin-1-yl)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 67957667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).