N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine

C11H9N4O4+ — CID 101076913

IUPACN-(2,4-dinitrophenyl)pyridin-1-ium-1-amine
SMILESO=[N+]([O-])c1ccc(N[n+]2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N4O4/c16-14(17)9-4-5-10(11(8-9)15(18)19)12-13-6-2-1-3-7-13/h1-8,12H/q+1
InChIKeyYEGHHHQASMXKBB-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.67
Rot. Bonds4

About N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine

N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine (PubChem CID 101076913) has the molecular formula C11H9N4O4+ and a molecular weight of 261.22 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)pyridin-1-ium-1-amine
PubChem CID101076913
Molecular FormulaC11H9N4O4+
Molecular Weight261.22 g/mol
Exact Mass261.06
IUPAC NameN-(2,4-dinitrophenyl)pyridin-1-ium-1-amine
SMILESO=[N+]([O-])c1ccc(N[n+]2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N4O4/c16-14(17)9-4-5-10(11(8-9)15(18)19)12-13-6-2-1-3-7-13/h1-8,12H/q+1
InChIKeyYEGHHHQASMXKBB-UHFFFAOYSA-N
XLogP1.67
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
N-(5-methyl-2-nitrophenyl)pyridin-1-ium-1-amine
CID 101077307
(2,4-dinitrophenyl)carbamic acid
CID 154114547
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
(2,4-dinitrophenyl)cyanamide
CID 12679048
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
CID 23421481
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-pyridin-1-ium-1-yl-3H-1,3-thiazol-2-one
CID 135538907
(2S)-2-(2,4-dinitroanilino)-1,1-diphenylpropan-1-ol
CID 100986613
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine?
The IUPAC name of N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine (CID 101076913) is N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine.
What is the SMILES notation for N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine?
The canonical SMILES for N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine is O=[N+]([O-])c1ccc(N[n+]2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine?
The InChIKey is YEGHHHQASMXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N4O4/c16-14(17)9-4-5-10(11(8-9)15(18)19)12-13-6-2-1-3-7-13/h1-8,12H/q+1.
What are the key properties of N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine?
N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine has a molecular weight of 261.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine is sourced from PubChem (CID 101076913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).