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

C12H9N3O6 — CID 115323377

IUPAC3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cnccc2C(=O)O)n1
InChIInChI=1S/C12H9N3O6/c1-20-10-3-2-8(15(18)19)11(14-10)21-9-6-13-5-4-7(9)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyLTXGMOMUMVMPTJ-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.88
Rot. Bonds5

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

3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid (PubChem CID 115323377) has the molecular formula C12H9N3O6 and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
PubChem CID115323377
Molecular FormulaC12H9N3O6
Molecular Weight291.22 g/mol
Exact Mass291.05
IUPAC Name3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cnccc2C(=O)O)n1
InChIInChI=1S/C12H9N3O6/c1-20-10-3-2-8(15(18)19)11(14-10)21-9-6-13-5-4-7(9)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyLTXGMOMUMVMPTJ-UHFFFAOYSA-N
XLogP1.88
TPSA124.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
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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Related Compounds

3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443142
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
5-[(4-cyano-3-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077781
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81438798
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81439548
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid (CID 115323377) is 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid is COc1ccc([N+](=O)[O-])c(Oc2cnccc2C(=O)O)n1.
What is the InChIKey of 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The InChIKey is LTXGMOMUMVMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O6/c1-20-10-3-2-8(15(18)19)11(14-10)21-9-6-13-5-4-7(9)12(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid has a molecular weight of 291.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 115323377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).