N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine

C12H10N4O4 — CID 10869482

IUPACN-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
SMILESCn1ccc(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O4/c1-14-6-4-9(5-7-14)13-11-3-2-10(15(17)18)8-12(11)16(19)20/h2-8H,1H3
InChIKeyVHMXJWJAAWXYSW-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.07
Rot. Bonds3

About N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine

N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine (PubChem CID 10869482) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
PubChem CID10869482
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
SMILESCn1ccc(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O4/c1-14-6-4-9(5-7-14)13-11-3-2-10(15(17)18)8-12(11)16(19)20/h2-8H,1H3
InChIKeyVHMXJWJAAWXYSW-UHFFFAOYSA-N
XLogP2.07
TPSA103.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
CID 15129640
(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
CID 27102282
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
methyl 3-[(2,4-dinitrophenyl)diazenyl]butanoate
CID 91435409
3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 22951302

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine?
The IUPAC name of N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine (CID 10869482) is N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine.
What is the SMILES notation for N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine?
The canonical SMILES for N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine is Cn1ccc(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine?
The InChIKey is VHMXJWJAAWXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-14-6-4-9(5-7-14)13-11-3-2-10(15(17)18)8-12(11)16(19)20/h2-8H,1H3.
What are the key properties of N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine?
N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine has a molecular weight of 274.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine is sourced from PubChem (CID 10869482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).