oxobismuthanyl 2-hydroxy-5-nitrobenzoate

C7H4BiNO6 — CID 16688295

IUPACoxobismuthanyl 2-hydroxy-5-nitrobenzoate
SMILESO=[Bi]OC(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H5NO5.Bi.O/c9-6-2-1-4(8(12)13)3-5(6)7(10)11;;/h1-3,9H,(H,10,11);;/q;+1;/p-1
InChIKeyIKOIPSLYBHBJGI-UHFFFAOYSA-M
MW407.09 g/mol
LogP0.42
Rot. Bonds3

About oxobismuthanyl 2-hydroxy-5-nitrobenzoate

oxobismuthanyl 2-hydroxy-5-nitrobenzoate (PubChem CID 16688295) has the molecular formula C7H4BiNO6 and a molecular weight of 407.09 g/mol. Its IUPAC name is oxobismuthanyl 2-hydroxy-5-nitrobenzoate.

Molecular Properties

Compound Nameoxobismuthanyl 2-hydroxy-5-nitrobenzoate
PubChem CID16688295
Molecular FormulaC7H4BiNO6
Molecular Weight407.09 g/mol
Exact Mass406.98
IUPAC Nameoxobismuthanyl 2-hydroxy-5-nitrobenzoate
SMILESO=[Bi]OC(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H5NO5.Bi.O/c9-6-2-1-4(8(12)13)3-5(6)7(10)11;;/h1-3,9H,(H,10,11);;/q;+1;/p-1
InChIKeyIKOIPSLYBHBJGI-UHFFFAOYSA-M
XLogP0.42
TPSA106.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 50.42
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

1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
CID 13157008
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
CID 166446115
(4-chlorophenyl)methyl 2-hydroxy-5-nitrobenzoate
CID 3482319
1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
4-phenylbutyl 2-hydroxy-5-nitrobenzoate
CID 11723207
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
bis(4-nitrophthalic acid);zirconium
CID 5176883
2-(1-adamantyl)ethyl 2-hydroxy-5-nitrobenzoate
CID 10405286
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512

Frequently Asked Questions

What is the IUPAC name of oxobismuthanyl 2-hydroxy-5-nitrobenzoate?
The IUPAC name of oxobismuthanyl 2-hydroxy-5-nitrobenzoate (CID 16688295) is oxobismuthanyl 2-hydroxy-5-nitrobenzoate.
What is the SMILES notation for oxobismuthanyl 2-hydroxy-5-nitrobenzoate?
The canonical SMILES for oxobismuthanyl 2-hydroxy-5-nitrobenzoate is O=[Bi]OC(=O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of oxobismuthanyl 2-hydroxy-5-nitrobenzoate?
The InChIKey is IKOIPSLYBHBJGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO5.Bi.O/c9-6-2-1-4(8(12)13)3-5(6)7(10)11;;/h1-3,9H,(H,10,11);;/q;+1;/p-1.
What are the key properties of oxobismuthanyl 2-hydroxy-5-nitrobenzoate?
oxobismuthanyl 2-hydroxy-5-nitrobenzoate has a molecular weight of 407.09 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxobismuthanyl 2-hydroxy-5-nitrobenzoate is sourced from PubChem (CID 16688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).