2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine

C34H24N8O8 — CID 139063552

IUPAC2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/2C17H12N4O4/c2*22-20(23)14-8-7-12(17(11-14)21(24)25)10-13-4-3-6-16(19-13)15-5-1-2-9-18-15/h2*1-9,11H,10H2
InChIKeyYODHQLQCRRBYBM-UHFFFAOYSA-N
MW672.61 g/mol
LogP7.10
Rot. Bonds10

About 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine

2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine (PubChem CID 139063552) has the molecular formula C34H24N8O8 and a molecular weight of 672.61 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine
PubChem CID139063552
Molecular FormulaC34H24N8O8
Molecular Weight672.61 g/mol
Exact Mass672.17
IUPAC Name2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/2C17H12N4O4/c2*22-20(23)14-8-7-12(17(11-14)21(24)25)10-13-4-3-6-16(19-13)15-5-1-2-9-18-15/h2*1-9,11H,10H2
InChIKeyYODHQLQCRRBYBM-UHFFFAOYSA-N
XLogP7.10
TPSA224.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.61
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine (CID 139063552) is 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine is O=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(Cc2cccc(-c3ccccn3)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine?
The InChIKey is YODHQLQCRRBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12N4O4/c2*22-20(23)14-8-7-12(17(11-14)21(24)25)10-13-4-3-6-16(19-13)15-5-1-2-9-18-15/h2*1-9,11H,10H2.
What are the key properties of 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine?
2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine has a molecular weight of 672.61 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenyl)methyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139063552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).