5-(4-nitrophenoxy)pyridine-2-carboxylic acid

C12H8N2O5 — CID 3048868

IUPAC5-(4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H8N2O5/c15-12(16)11-6-5-10(7-13-11)19-9-3-1-8(2-4-9)14(17)18/h1-7H,(H,15,16)
InChIKeyUJKWKNWJDWPCFW-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.48
Rot. Bonds4

About 5-(4-nitrophenoxy)pyridine-2-carboxylic acid

5-(4-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 3048868) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID3048868
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name5-(4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H8N2O5/c15-12(16)11-6-5-10(7-13-11)19-9-3-1-8(2-4-9)14(17)18/h1-7H,(H,15,16)
InChIKeyUJKWKNWJDWPCFW-UHFFFAOYSA-N
XLogP2.48
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 5-(4-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-nitrophenoxy)pyridine-2-carboxylic acid (CID 3048868) is 5-(4-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-nitrophenoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 5-(4-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is UJKWKNWJDWPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-12(16)11-6-5-10(7-13-11)19-9-3-1-8(2-4-9)14(17)18/h1-7H,(H,15,16).
What are the key properties of 5-(4-nitrophenoxy)pyridine-2-carboxylic acid?
5-(4-nitrophenoxy)pyridine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 3048868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).