1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid

C13H10N2O6 — CID 82108199

IUPAC1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10N2O6/c16-12-5-4-10(13(17)18)7-14(12)21-8-9-2-1-3-11(6-9)15(19)20/h1-7H,8H2,(H,17,18)
InChIKeyGVXUKXJAOVNDIF-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.08
Rot. Bonds5

About 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid

1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108199) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
PubChem CID82108199
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10N2O6/c16-12-5-4-10(13(17)18)7-14(12)21-8-9-2-1-3-11(6-9)15(19)20/h1-7H,8H2,(H,17,18)
InChIKeyGVXUKXJAOVNDIF-UHFFFAOYSA-N
XLogP1.08
TPSA111.67 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 ≤ 51.08
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

3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
3-nitro-4-[(3-nitrophenyl)methyl]benzoic acid
CID 88838656
1-[(3-fluoro-5-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 115980740
1-[2-(4-nitrophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 43520066
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
sodium 2-(3-nitrophenyl)acetate
CID 20571503
4-[[methyl-[(3-nitrophenyl)methyl]amino]diazenyl]benzoic acid
CID 139270159
N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382464
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid (CID 82108199) is 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(OCc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The InChIKey is GVXUKXJAOVNDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c16-12-5-4-10(13(17)18)7-14(12)21-8-9-2-1-3-11(6-9)15(19)20/h1-7H,8H2,(H,17,18).
What are the key properties of 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid has a molecular weight of 290.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitrophenyl)methoxy]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).