3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid

C11H8N4O5 — CID 81443142

IUPAC3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESNc1nc(Oc2cnccc2C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c12-10-7(15(18)19)1-2-9(14-10)20-8-5-13-4-3-6(8)11(16)17/h1-5H,(H2,12,14)(H,16,17)
InChIKeyAFQDPZQEGVCUBR-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.46
Rot. Bonds4

About 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid

3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid (PubChem CID 81443142) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
PubChem CID81443142
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESNc1nc(Oc2cnccc2C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O5/c12-10-7(15(18)19)1-2-9(14-10)20-8-5-13-4-3-6(8)11(16)17/h1-5H,(H2,12,14)(H,16,17)
InChIKeyAFQDPZQEGVCUBR-UHFFFAOYSA-N
XLogP1.46
TPSA141.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid (CID 81443142) is 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid is Nc1nc(Oc2cnccc2C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The InChIKey is AFQDPZQEGVCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5/c12-10-7(15(18)19)1-2-9(14-10)20-8-5-13-4-3-6(8)11(16)17/h1-5H,(H2,12,14)(H,16,17).
What are the key properties of 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).