2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

C9H5N5O3 — CID 169342003

IUPAC2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5N5O3/c10-4-6(5-11)12-13-8-2-1-7(15)3-9(8)14(16)17/h1-3,13,15H
InChIKeyVZZMJQGYFHHSBE-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.12
Rot. Bonds3

About 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169342003) has the molecular formula C9H5N5O3 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID169342003
Molecular FormulaC9H5N5O3
Molecular Weight231.17 g/mol
Exact Mass231.04
IUPAC Name2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H5N5O3/c10-4-6(5-11)12-13-8-2-1-7(15)3-9(8)14(16)17/h1-3,13,15H
InChIKeyVZZMJQGYFHHSBE-UHFFFAOYSA-N
XLogP1.12
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340812
2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]propanedinitrile
CID 56695479
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
CID 169338994
4-(methylamino)-3-nitrophenol
CID 22832045
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341455
2-[(2-chloro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337431
2-[(2-bromo-3,4-difluoro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341384
2-[[2-(2-hydroxyethyl)-3,5-dinitrophenyl]hydrazinylidene]propanedinitrile
CID 169340860
2-[2-(dicyanomethylidene)hydrazinyl]-3,5-dinitrobenzoic acid
CID 169341705
2-[(2,2-dimethyl-7-nitrochromen-6-yl)hydrazinylidene]propanedinitrile
CID 169339232

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (CID 169342003) is 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is VZZMJQGYFHHSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O3/c10-4-6(5-11)12-13-8-2-1-7(15)3-9(8)14(16)17/h1-3,13,15H.
What are the key properties of 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 231.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169342003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).