2-(methyliminomethyl)-6-nitrophenol

C8H8N2O3 — CID 4779353

IUPAC2-(methyliminomethyl)-6-nitrophenol
SMILESC/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8N2O3/c1-9-5-6-3-2-4-7(8(6)11)10(12)13/h2-5,11H,1H3/b9-5+
InChIKeyLNEGHCGLULRKGQ-WEVVVXLNSA-N
MW180.16 g/mol
LogP1.35
Rot. Bonds2

About 2-(methyliminomethyl)-6-nitrophenol

2-(methyliminomethyl)-6-nitrophenol (PubChem CID 4779353) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(methyliminomethyl)-6-nitrophenol.

Molecular Properties

Compound Name2-(methyliminomethyl)-6-nitrophenol
PubChem CID4779353
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(methyliminomethyl)-6-nitrophenol
SMILESC/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8N2O3/c1-9-5-6-3-2-4-7(8(6)11)10(12)13/h2-5,11H,1H3/b9-5+
InChIKeyLNEGHCGLULRKGQ-WEVVVXLNSA-N
XLogP1.35
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-nitro-6-(propyliminomethyl)phenol
CID 136693324
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
2-nitro-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 135615334
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052
2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
1-ethyl-3-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 137066759
2-[[(3-iodophenyl)methylidenehydrazinylidene]methyl]-6-nitrophenol
CID 3094118
3-(2-hydroxy-3-nitrophenyl)prop-2-enoic acid
CID 53401649
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
CID 169474040

Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethyl)-6-nitrophenol?
The IUPAC name of 2-(methyliminomethyl)-6-nitrophenol (CID 4779353) is 2-(methyliminomethyl)-6-nitrophenol.
What is the SMILES notation for 2-(methyliminomethyl)-6-nitrophenol?
The canonical SMILES for 2-(methyliminomethyl)-6-nitrophenol is C/N=C/c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-(methyliminomethyl)-6-nitrophenol?
The InChIKey is LNEGHCGLULRKGQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-9-5-6-3-2-4-7(8(6)11)10(12)13/h2-5,11H,1H3/b9-5+.
What are the key properties of 2-(methyliminomethyl)-6-nitrophenol?
2-(methyliminomethyl)-6-nitrophenol has a molecular weight of 180.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethyl)-6-nitrophenol is sourced from PubChem (CID 4779353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).