N'-(2,4-dinitrophenyl)methanimidamide

C7H6N4O4 — CID 89273511

IUPACN'-(2,4-dinitrophenyl)methanimidamide
SMILESN/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-4H,(H2,8,9)
InChIKeyNRKDUTAHIALVCW-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.12
Rot. Bonds3

About N'-(2,4-dinitrophenyl)methanimidamide

N'-(2,4-dinitrophenyl)methanimidamide (PubChem CID 89273511) has the molecular formula C7H6N4O4 and a molecular weight of 210.15 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)methanimidamide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)methanimidamide
PubChem CID89273511
Molecular FormulaC7H6N4O4
Molecular Weight210.15 g/mol
Exact Mass210.04
IUPAC NameN'-(2,4-dinitrophenyl)methanimidamide
SMILESN/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-4H,(H2,8,9)
InChIKeyNRKDUTAHIALVCW-UHFFFAOYSA-N
XLogP1.12
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
4-[(2,4-dinitrophenyl)iminomethyl]-N,N-diethylaniline
CID 102398892
(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine
CID 118343792
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
CID 15129640
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
CID 10869482
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
CID 15129643
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
CID 154687570

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)methanimidamide?
The IUPAC name of N'-(2,4-dinitrophenyl)methanimidamide (CID 89273511) is N'-(2,4-dinitrophenyl)methanimidamide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)methanimidamide?
The canonical SMILES for N'-(2,4-dinitrophenyl)methanimidamide is N/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N'-(2,4-dinitrophenyl)methanimidamide?
The InChIKey is NRKDUTAHIALVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-4H,(H2,8,9).
What are the key properties of N'-(2,4-dinitrophenyl)methanimidamide?
N'-(2,4-dinitrophenyl)methanimidamide has a molecular weight of 210.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)methanimidamide is sourced from PubChem (CID 89273511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).