2-[(E)-hydroxyiminomethyl]-4-nitrophenol

C7H6N2O4 — CID 86261909

IUPAC2-[(E)-hydroxyiminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C7H6N2O4/c10-7-2-1-6(9(12)13)3-5(7)4-8-11/h1-4,10-11H/b8-4+
InChIKeyDVBKBUGAIYQNOE-XBXARRHUSA-N
MW182.14 g/mol
LogP1.11
Rot. Bonds2

About 2-[(E)-hydroxyiminomethyl]-4-nitrophenol

2-[(E)-hydroxyiminomethyl]-4-nitrophenol (PubChem CID 86261909) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-4-nitrophenol
PubChem CID86261909
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name2-[(E)-hydroxyiminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C7H6N2O4/c10-7-2-1-6(9(12)13)3-5(7)4-8-11/h1-4,10-11H/b8-4+
InChIKeyDVBKBUGAIYQNOE-XBXARRHUSA-N
XLogP1.11
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-nitrophenol (CID 86261909) is 2-[(E)-hydroxyiminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/O)c1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-4-nitrophenol?
The InChIKey is DVBKBUGAIYQNOE-XBXARRHUSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-7-2-1-6(9(12)13)3-5(7)4-8-11/h1-4,10-11H/b8-4+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-4-nitrophenol?
2-[(E)-hydroxyiminomethyl]-4-nitrophenol has a molecular weight of 182.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-4-nitrophenol is sourced from PubChem (CID 86261909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).