CID 58418423

C8H6N2O4 — CID 58418423

IUPAC—
SMILES[CH]NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H6N2O4/c1-9-8(12)5-3-2-4-6(7(5)11)10(13)14/h1-4,11H,(H,9,12)
InChIKeyFFUFMFLNXXKXQJ-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.70
Rot. Bonds2

About CID 58418423

CID 58418423 (PubChem CID 58418423) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol.

Molecular Properties

Compound NameCID 58418423
PubChem CID58418423
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name—
SMILES[CH]NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H6N2O4/c1-9-8(12)5-3-2-4-6(7(5)11)10(13)14/h1-4,11H,(H,9,12)
InChIKeyFFUFMFLNXXKXQJ-UHFFFAOYSA-N
XLogP0.70
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', '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

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2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
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2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
CID 97087687
2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-3-nitrobenzamide
CID 103800350

Frequently Asked Questions

What is the IUPAC name of CID 58418423?
The IUPAC name of CID 58418423 (CID 58418423) is not available.
What is the SMILES notation for CID 58418423?
The canonical SMILES for CID 58418423 is [CH]NC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of CID 58418423?
The InChIKey is FFUFMFLNXXKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c1-9-8(12)5-3-2-4-6(7(5)11)10(13)14/h1-4,11H,(H,9,12).
What are the key properties of CID 58418423?
CID 58418423 has a molecular weight of 194.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58418423 is sourced from PubChem (CID 58418423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).