2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol

C17H16N4O6 — CID 101422074

IUPAC2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
SMILESC/C(C/C(C)=N/c1ccc([N+](=O)[O-])cc1O)=N\c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C17H16N4O6/c1-10(18-14-5-3-12(20(24)25)8-16(14)22)7-11(2)19-15-6-4-13(21(26)27)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b18-10+,19-11+
InChIKeyRYYQBBSCAAJBFV-XOBNHNQQSA-N
MW372.34 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol

2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol (PubChem CID 101422074) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol.

Molecular Properties

Compound Name2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
PubChem CID101422074
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
SMILESC/C(C/C(C)=N/c1ccc([N+](=O)[O-])cc1O)=N\c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C17H16N4O6/c1-10(18-14-5-3-12(20(24)25)8-16(14)22)7-11(2)19-15-6-4-13(21(26)27)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b18-10+,19-11+
InChIKeyRYYQBBSCAAJBFV-XOBNHNQQSA-N
XLogP4.19
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-4-nitrophenyl)guanidine
CID 174617982
2-ethyl-5-nitrophenol
CID 18980077
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
ethyl 2-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-oxobutanoate
CID 137229331
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 135941732
2-bromo-5-nitrophenol;ethane
CID 177010307
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-amino-4-nitrophenol;ethanol
CID 174857010
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
CID 170842552
2-(methylideneamino)-4-nitrophenol
CID 153394573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol?
The IUPAC name of 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol (CID 101422074) is 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol.
What is the SMILES notation for 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol?
The canonical SMILES for 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol is C/C(C/C(C)=N/c1ccc([N+](=O)[O-])cc1O)=N\c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol?
The InChIKey is RYYQBBSCAAJBFV-XOBNHNQQSA-N. The full InChI is InChI=1S/C17H16N4O6/c1-10(18-14-5-3-12(20(24)25)8-16(14)22)7-11(2)19-15-6-4-13(21(26)27)9-17(15)23/h3-6,8-9,22-23H,7H2,1-2H3/b18-10+,19-11+.
What are the key properties of 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol?
2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol has a molecular weight of 372.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol is sourced from PubChem (CID 101422074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).