3-[(4-nitro-2-pyridinyl)oxy]benzoic acid

C12H8N2O5 — CID 55207487

IUPAC3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C12H8N2O5/c15-12(16)8-2-1-3-10(6-8)19-11-7-9(14(17)18)4-5-13-11/h1-7H,(H,15,16)
InChIKeyZGPOHBZNWIWZST-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.48
Rot. Bonds4

About 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid

3-[(4-nitro-2-pyridinyl)oxy]benzoic acid (PubChem CID 55207487) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
PubChem CID55207487
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C12H8N2O5/c15-12(16)8-2-1-3-10(6-8)19-11-7-9(14(17)18)4-5-13-11/h1-7H,(H,15,16)
InChIKeyZGPOHBZNWIWZST-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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Related Compounds

[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
2-phenoxypyridine-4-carboxylic acid
CID 21494431
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid (CID 55207487) is 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1cccc(Oc2cc([N+](=O)[O-])ccn2)c1.
What is the InChIKey of 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is ZGPOHBZNWIWZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-12(16)8-2-1-3-10(6-8)19-11-7-9(14(17)18)4-5-13-11/h1-7H,(H,15,16).
What are the key properties of 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid?
3-[(4-nitro-2-pyridinyl)oxy]benzoic 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 3-[(4-nitro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 55207487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).