2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile

C14H8N6O3 — CID 169339184

IUPAC2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H8N6O3/c15-7-11(8-16)19-18-10-4-12(20(21)22)6-14(5-10)23-13-2-1-3-17-9-13/h1-6,9,18H
InChIKeyYFMFJLWFKUMMQZ-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.60
Rot. Bonds5

About 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile

2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169339184) has the molecular formula C14H8N6O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169339184
Molecular FormulaC14H8N6O3
Molecular Weight308.26 g/mol
Exact Mass308.07
IUPAC Name2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H8N6O3/c15-7-11(8-16)19-18-10-4-12(20(21)22)6-14(5-10)23-13-2-1-3-17-9-13/h1-6,9,18H
InChIKeyYFMFJLWFKUMMQZ-UHFFFAOYSA-N
XLogP2.60
TPSA137.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile 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

1-chloro-3-(3-nitro-5-pyridin-3-yloxyanilino)propan-2-ol
CID 168638117
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163787838
2-[[3-[1-(4-methylphenyl)ethylideneamino]oxy-5-nitrophenyl]hydrazinylidene]propanedinitrile
CID 169340202
N-(3-nitro-5-pyridin-3-yloxyphenyl)adamantane-1-carboxamide
CID 4684686
2-(2-methylphenoxy)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1240406
2-(4-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)butanamide
CID 19551796
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 19525665
N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509260
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
4-bromo-1-methyl-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481151
2-[[3-(3,5-dimethylphenoxy)-5-nitroanilino]methylidene]propanedinitrile
CID 168543167
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile (CID 169339184) is 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is YFMFJLWFKUMMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O3/c15-7-11(8-16)19-18-10-4-12(20(21)22)6-14(5-10)23-13-2-1-3-17-9-13/h1-6,9,18H.
What are the key properties of 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile?
2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 308.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-5-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).