2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile

C14H11N5O2 — CID 4660180

IUPAC2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile
SMILESCc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccccc1C#N
InChIInChI=1S/C14H11N5O2/c1-10-8-12(19(20)21)6-7-13(10)16-18-17-14-5-3-2-4-11(14)9-15/h2-8H,1H3,(H,16,17)
InChIKeyZTPKFQLFLDOKTL-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.89
Rot. Bonds4

About 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile

2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile (PubChem CID 4660180) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile
PubChem CID4660180
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile
SMILESCc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccccc1C#N
InChIInChI=1S/C14H11N5O2/c1-10-8-12(19(20)21)6-7-13(10)16-18-17-14-5-3-2-4-11(14)9-15/h2-8H,1H3,(H,16,17)
InChIKeyZTPKFQLFLDOKTL-UHFFFAOYSA-N
XLogP3.89
TPSA103.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-amino-4-nitroanilino)benzonitrile
CID 62506951
N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline
CID 3089882
2-[(2-bromo-4-nitrophenyl)methylamino]benzonitrile
CID 60791049
2-[(4-amino-3-methylphenyl)diazenyl]-3-methyl-5-nitrobenzonitrile
CID 143045509
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
2-(2-amino-4-nitroanilino)-6-methylbenzonitrile
CID 107802726
N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
CID 86081155
sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
CID 170844614
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
2-(cyclopropylamino)-4-nitrobenzonitrile
CID 171316320

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile?
The IUPAC name of 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile (CID 4660180) is 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile.
What is the SMILES notation for 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile?
The canonical SMILES for 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile is Cc1cc([N+](=O)[O-])ccc1/N=N/Nc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile?
The InChIKey is ZTPKFQLFLDOKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-10-8-12(19(20)21)6-7-13(10)16-18-17-14-5-3-2-4-11(14)9-15/h2-8H,1H3,(H,16,17).
What are the key properties of 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile?
2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile has a molecular weight of 281.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile is sourced from PubChem (CID 4660180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).