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

C13H10N2O6 — CID 61395996

IUPAC4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O6/c1-20-8-4-5-9(13(16)17)11(7-8)21-12-10(15(18)19)3-2-6-14-12/h2-7H,1H3,(H,16,17)
InChIKeyXXSIHBWUTSKGMW-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.49
Rot. Bonds5

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

4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid (PubChem CID 61395996) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
PubChem CID61395996
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O6/c1-20-8-4-5-9(13(16)17)11(7-8)21-12-10(15(18)19)3-2-6-14-12/h2-7H,1H3,(H,16,17)
InChIKeyXXSIHBWUTSKGMW-UHFFFAOYSA-N
XLogP2.49
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
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

4-methoxy-2-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid
CID 103080460
2-(5-chloro-2-nitrophenoxy)-4-methoxybenzoic acid
CID 14489875
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342033
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 45437625
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid (CID 61395996) is 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid is COc1ccc(C(=O)O)c(Oc2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is XXSIHBWUTSKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c1-20-8-4-5-9(13(16)17)11(7-8)21-12-10(15(18)19)3-2-6-14-12/h2-7H,1H3,(H,16,17).
What are the key properties of 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid?
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 290.23 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 61395996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).