2-methoxy-5-nitrobenzoic acid;zinc

C8H7NO5Zn — CID 67791241

IUPAC2-methoxy-5-nitrobenzoic acid;zinc
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)O.[Zn]
InChIInChI=1S/C8H7NO5.Zn/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11;/h2-4H,1H3,(H,10,11);
InChIKeyKLERZMNOLKMKPH-UHFFFAOYSA-N
MW262.54 g/mol
LogP1.30
Rot. Bonds3

About 2-methoxy-5-nitrobenzoic acid;zinc

2-methoxy-5-nitrobenzoic acid;zinc (PubChem CID 67791241) has the molecular formula C8H7NO5Zn and a molecular weight of 262.54 g/mol. Its IUPAC name is 2-methoxy-5-nitrobenzoic acid;zinc.

Molecular Properties

Compound Name2-methoxy-5-nitrobenzoic acid;zinc
PubChem CID67791241
Molecular FormulaC8H7NO5Zn
Molecular Weight262.54 g/mol
Exact Mass260.96
IUPAC Name2-methoxy-5-nitrobenzoic acid;zinc
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)O.[Zn]
InChIInChI=1S/C8H7NO5.Zn/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11;/h2-4H,1H3,(H,10,11);
InChIKeyKLERZMNOLKMKPH-UHFFFAOYSA-N
XLogP1.30
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxy-5-nitrobenzoic acid
CID 5211294
2-(2-methoxyethoxy)-5-nitrobenzoic acid
CID 2725637
2-(2-methoxy-5-methylphenyl)-4-nitrobenzoic acid
CID 53226249
propan-2-yl 2-methoxy-5-nitrobenzoate
CID 112722997
2-(2,2-dimethylpropoxy)-5-nitrobenzoic acid
CID 139678174
2-methoxycarbonyl-5-nitrobenzoic acid
CID 13221841
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoic acid
CID 44721649
sodium 2-carboxy-6-methoxy-4-nitrophenolate
CID 139033764

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitrobenzoic acid;zinc?
The IUPAC name of 2-methoxy-5-nitrobenzoic acid;zinc (CID 67791241) is 2-methoxy-5-nitrobenzoic acid;zinc.
What is the SMILES notation for 2-methoxy-5-nitrobenzoic acid;zinc?
The canonical SMILES for 2-methoxy-5-nitrobenzoic acid;zinc is COc1ccc([N+](=O)[O-])cc1C(=O)O.[Zn].
What is the InChIKey of 2-methoxy-5-nitrobenzoic acid;zinc?
The InChIKey is KLERZMNOLKMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5.Zn/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11;/h2-4H,1H3,(H,10,11);.
What are the key properties of 2-methoxy-5-nitrobenzoic acid;zinc?
2-methoxy-5-nitrobenzoic acid;zinc has a molecular weight of 262.54 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitrobenzoic acid;zinc is sourced from PubChem (CID 67791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).