2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid

C13H10N2O6 — CID 107342033

IUPAC2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid
SMILESCOc1cccnc1Oc1cccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C13H10N2O6/c1-20-10-6-3-7-14-12(10)21-9-5-2-4-8(15(18)19)11(9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNOFXLLAOZVKQHH-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.49
Rot. Bonds5

About 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid

2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid (PubChem CID 107342033) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid
PubChem CID107342033
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid
SMILESCOc1cccnc1Oc1cccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C13H10N2O6/c1-20-10-6-3-7-14-12(10)21-9-5-2-4-8(15(18)19)11(9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNOFXLLAOZVKQHH-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

2-[(3-cyano-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342012
2-[(3,5-dichloro-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342080
2-nitro-6-(pyridin-4-ylmethoxy)benzoic acid
CID 107341336
2-(5,6-dimethylpyrazin-2-yl)oxy-6-nitrobenzoic acid
CID 107342067
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
4,5-dimethoxyphthalic acid;3-nitrophthalic acid
CID 158686651
2-(2-methylprop-2-enoxy)-6-nitrobenzoic acid
CID 107341177
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-6-nitrobenzoic acid
CID 107342029
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
2-nitro-6-octadecoxybenzoic acid
CID 68844040
2-(3-fluoropropoxy)-6-nitrobenzoic acid
CID 107341286
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid?
The IUPAC name of 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid (CID 107342033) is 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid.
What is the SMILES notation for 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid?
The canonical SMILES for 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid is COc1cccnc1Oc1cccc([N+](=O)[O-])c1C(=O)O.
What is the InChIKey of 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid?
The InChIKey is NOFXLLAOZVKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c1-20-10-6-3-7-14-12(10)21-9-5-2-4-8(15(18)19)11(9)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid?
2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic 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 2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid is sourced from PubChem (CID 107342033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).