4-hydroxy-2-nitrophenolate

C6H4NO4- — CID 36690956

IUPAC4-hydroxy-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(O)ccc1[O-]
InChIInChI=1S/C6H5NO4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H/p-1
InChIKeyVIIYYMZOGKODQG-UHFFFAOYSA-M
MW154.10 g/mol
LogP0.37
Rot. Bonds1

About 4-hydroxy-2-nitrophenolate

4-hydroxy-2-nitrophenolate (PubChem CID 36690956) has the molecular formula C6H4NO4- and a molecular weight of 154.10 g/mol. Its IUPAC name is 4-hydroxy-2-nitrophenolate.

Molecular Properties

Compound Name4-hydroxy-2-nitrophenolate
PubChem CID36690956
Molecular FormulaC6H4NO4-
Molecular Weight154.10 g/mol
Exact Mass154.01
IUPAC Name4-hydroxy-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(O)ccc1[O-]
InChIInChI=1S/C6H5NO4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H/p-1
InChIKeyVIIYYMZOGKODQG-UHFFFAOYSA-M
XLogP0.37
TPSA86.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-3-nitrophenol
CID 16271
4-methyl-2-nitrophenolate
CID 6989903
2,4-dinitrophenolate;pyridin-1-ium-4-ol
CID 162625194
4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
CID 19786005
4-nitro-3-sulfanylphenol
CID 91873870
sodium 4-methyl-2-nitrophenolate
CID 12989561
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
4-hydroxy-2-nitrobenzenediazonium
CID 56925690
4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
CID 3092239
4-(methylamino)-3-nitrophenol
CID 22832045
3-ethenyl-4-nitrophenol
CID 18352402
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-nitrophenolate?
The IUPAC name of 4-hydroxy-2-nitrophenolate (CID 36690956) is 4-hydroxy-2-nitrophenolate.
What is the SMILES notation for 4-hydroxy-2-nitrophenolate?
The canonical SMILES for 4-hydroxy-2-nitrophenolate is O=[N+]([O-])c1cc(O)ccc1[O-].
What is the InChIKey of 4-hydroxy-2-nitrophenolate?
The InChIKey is VIIYYMZOGKODQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H/p-1.
What are the key properties of 4-hydroxy-2-nitrophenolate?
4-hydroxy-2-nitrophenolate has a molecular weight of 154.10 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-nitrophenolate is sourced from PubChem (CID 36690956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).