3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile

C12H10N6O2 — CID 80928418

IUPAC3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nc(NN)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N6O2/c13-7-8-2-1-3-9(6-8)15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,14H2,(H2,15,16,17)
InChIKeyHJORCPOAVTVORX-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.89
Rot. Bonds4

About 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile (PubChem CID 80928418) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
PubChem CID80928418
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nc(NN)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N6O2/c13-7-8-2-1-3-9(6-8)15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,14H2,(H2,15,16,17)
InChIKeyHJORCPOAVTVORX-UHFFFAOYSA-N
XLogP1.89
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile 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

4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107623697
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
[2-(3-cyanoanilino)-5-nitropyrimidin-4-yl] thiocyanate
CID 21080669
6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
CID 79825461
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile (CID 80928418) is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile is N#Cc1cccc(Nc2nc(NN)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
The InChIKey is HJORCPOAVTVORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c13-7-8-2-1-3-9(6-8)15-12-10(18(19)20)4-5-11(16-12)17-14/h1-6H,14H2,(H2,15,16,17).
What are the key properties of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile?
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile has a molecular weight of 270.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 80928418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).