(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine

C17H14N4O4 — CID 118343792

IUPAC(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C17H14N4O4/c1-2-3-13(14-6-9-18-10-7-14)8-11-19-16-5-4-15(20(22)23)12-17(16)21(24)25/h2-12H,1H3/b3-2-,13-8+,19-11+
InChIKeyNXWJQJNCLVECRQ-VKBJUZGBSA-N
MW338.32 g/mol
LogP4.26
Rot. Bonds6

About (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine

(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine (PubChem CID 118343792) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine
PubChem CID118343792
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C17H14N4O4/c1-2-3-13(14-6-9-18-10-7-14)8-11-19-16-5-4-15(20(22)23)12-17(16)21(24)25/h2-12H,1H3/b3-2-,13-8+,19-11+
InChIKeyNXWJQJNCLVECRQ-VKBJUZGBSA-N
XLogP4.26
TPSA111.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
N'-[(1E,3Z)-2-benzyl-5-(2,4-dinitrophenyl)iminopenta-1,3-dienyl]pyridine-3-carbohydrazide
CID 10073527
4-[(2,4-dinitrophenyl)iminomethyl]-N,N-diethylaniline
CID 102398892
4-nitropyridine;hydrate
CID 132647818
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
CID 15129640
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
CID 10869482

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine (CID 118343792) is (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine is C/C=C\C(=C/C=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine?
The InChIKey is NXWJQJNCLVECRQ-VKBJUZGBSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-2-3-13(14-6-9-18-10-7-14)8-11-19-16-5-4-15(20(22)23)12-17(16)21(24)25/h2-12H,1H3/b3-2-,13-8+,19-11+.
What are the key properties of (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine?
(2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine has a molecular weight of 338.32 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(2,4-dinitrophenyl)-3-pyridin-4-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118343792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).