2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid

C12H9N3O5 — CID 28854217

IUPAC2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1O
InChIInChI=1S/C12H9N3O5/c16-10-5-7(1-3-9(10)12(17)18)14-8-2-4-11(13-6-8)15(19)20/h1-6,14,16H,(H,17,18)
InChIKeyAEHQLRXCYPSKJZ-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.14
Rot. Bonds4

About 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid

2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid (PubChem CID 28854217) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid
PubChem CID28854217
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1O
InChIInChI=1S/C12H9N3O5/c16-10-5-7(1-3-9(10)12(17)18)14-8-2-4-11(13-6-8)15(19)20/h1-6,14,16H,(H,17,18)
InChIKeyAEHQLRXCYPSKJZ-UHFFFAOYSA-N
XLogP2.14
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
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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Related Compounds

2-hydroxy-5-[(6-nitro-3-pyridinyl)amino]benzoic acid
CID 28854197
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
2-fluoro-4-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 107793335
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
4-[2-[(6-nitro-3-pyridinyl)amino]ethyl]benzoic acid
CID 43665841
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
1-[2-[(6-nitro-3-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498849
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
CID 62545034
2-methyl-6-[(6-nitro-3-pyridinyl)amino]heptanoic acid
CID 65289531

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid (CID 28854217) is 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid is O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid?
The InChIKey is AEHQLRXCYPSKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-10-5-7(1-3-9(10)12(17)18)14-8-2-4-11(13-6-8)15(19)20/h1-6,14,16H,(H,17,18).
What are the key properties of 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid?
2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid has a molecular weight of 275.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 28854217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).