(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine

C12H9N3O4 — CID 101222114

IUPAC(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
SMILESO=[N+]([O-])c1ccc(/C=C2\C=CC=CN2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-8,13H/b10-7+
InChIKeyIGTYXPNPCNNHAH-JXMROGBWSA-N
MW259.22 g/mol
LogP2.52
Rot. Bonds3

About (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine

(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine (PubChem CID 101222114) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine.

Molecular Properties

Compound Name(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
PubChem CID101222114
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
SMILESO=[N+]([O-])c1ccc(/C=C2\C=CC=CN2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-8,13H/b10-7+
InChIKeyIGTYXPNPCNNHAH-JXMROGBWSA-N
XLogP2.52
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.52
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'}

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Related Compounds

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
CID 154388068
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
CID 122232545
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
4-(2,4-dinitrophenyl)piperidine
CID 15925829
6-chloro-4-[(2,4-dinitrophenyl)methylidene]-1-ethylquinoline
CID 54221493
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine?
The IUPAC name of (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine (CID 101222114) is (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine.
What is the SMILES notation for (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine?
The canonical SMILES for (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine is O=[N+]([O-])c1ccc(/C=C2\C=CC=CN2)c([N+](=O)[O-])c1.
What is the InChIKey of (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine?
The InChIKey is IGTYXPNPCNNHAH-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-8,13H/b10-7+.
What are the key properties of (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine?
(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine has a molecular weight of 259.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine is sourced from PubChem (CID 101222114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).