4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol

C8H6N6O3 — CID 135776103

IUPAC4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(C=Nc2nn[nH]n2)c1
InChIInChI=1S/C8H6N6O3/c15-7-2-1-6(14(16)17)3-5(7)4-9-8-10-12-13-11-8/h1-4,15H,(H,10,11,12,13)
InChIKeySBWGREZBYUTATE-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.56
Rot. Bonds3

About 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol

4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol (PubChem CID 135776103) has the molecular formula C8H6N6O3 and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol
PubChem CID135776103
Molecular FormulaC8H6N6O3
Molecular Weight234.18 g/mol
Exact Mass234.05
IUPAC Name4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(C=Nc2nn[nH]n2)c1
InChIInChI=1S/C8H6N6O3/c15-7-2-1-6(14(16)17)3-5(7)4-9-8-10-12-13-11-8/h1-4,15H,(H,10,11,12,13)
InChIKeySBWGREZBYUTATE-UHFFFAOYSA-N
XLogP0.56
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2-(3H-benzimidazol-5-yliminomethyl)-4-nitrophenol
CID 3094369
2-(1H-indazol-5-yliminomethyl)-4-nitrophenol
CID 3110766
2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenol
CID 584602
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[(4,6-dimethylpyrimidin-2-yl)iminomethyl]-5-nitrophenol
CID 135548956
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 758520
2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
CID 139264621
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol?
The IUPAC name of 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol (CID 135776103) is 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol.
What is the SMILES notation for 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol?
The canonical SMILES for 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol is O=[N+]([O-])c1ccc(O)c(C=Nc2nn[nH]n2)c1.
What is the InChIKey of 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol?
The InChIKey is SBWGREZBYUTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O3/c15-7-2-1-6(14(16)17)3-5(7)4-9-8-10-12-13-11-8/h1-4,15H,(H,10,11,12,13).
What are the key properties of 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol?
4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol has a molecular weight of 234.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol is sourced from PubChem (CID 135776103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).