2-(methylideneamino)-4-nitrophenol

C7H6N2O3 — CID 153394573

IUPAC2-(methylideneamino)-4-nitrophenol
SMILESC=Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H6N2O3/c1-8-6-4-5(9(11)12)2-3-7(6)10/h2-4,10H,1H2
InChIKeyCLYANMRQOZYJCD-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.63
Rot. Bonds2

About 2-(methylideneamino)-4-nitrophenol

2-(methylideneamino)-4-nitrophenol (PubChem CID 153394573) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 2-(methylideneamino)-4-nitrophenol.

Molecular Properties

Compound Name2-(methylideneamino)-4-nitrophenol
PubChem CID153394573
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name2-(methylideneamino)-4-nitrophenol
SMILESC=Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H6N2O3/c1-8-6-4-5(9(11)12)2-3-7(6)10/h2-4,10H,1H2
InChIKeyCLYANMRQOZYJCD-UHFFFAOYSA-N
XLogP1.63
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'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

4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
potassium 2-chloro-4-nitrophenol
CID 71150199
dichlorotitanium;4-nitro-2-(pyrrol-1-id-2-ylmethylideneamino)phenol
CID 59235478
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
2-(2-hydroxy-4-nitrophenyl)guanidine
CID 174617982
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-4-nitrophenol?
The IUPAC name of 2-(methylideneamino)-4-nitrophenol (CID 153394573) is 2-(methylideneamino)-4-nitrophenol.
What is the SMILES notation for 2-(methylideneamino)-4-nitrophenol?
The canonical SMILES for 2-(methylideneamino)-4-nitrophenol is C=Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(methylideneamino)-4-nitrophenol?
The InChIKey is CLYANMRQOZYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-8-6-4-5(9(11)12)2-3-7(6)10/h2-4,10H,1H2.
What are the key properties of 2-(methylideneamino)-4-nitrophenol?
2-(methylideneamino)-4-nitrophenol has a molecular weight of 166.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-4-nitrophenol is sourced from PubChem (CID 153394573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).