2,6-bis[(4-nitrophenoxy)methyl]pyridine

C19H15N3O6 — CID 4984267

IUPAC2,6-bis[(4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cccc(COc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H15N3O6/c23-21(24)16-4-8-18(9-5-16)27-12-14-2-1-3-15(20-14)13-28-19-10-6-17(7-11-19)22(25)26/h1-11H,12-13H2
InChIKeyUEIFYTDCYPUGKL-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.06
Rot. Bonds8

About 2,6-bis[(4-nitrophenoxy)methyl]pyridine

2,6-bis[(4-nitrophenoxy)methyl]pyridine (PubChem CID 4984267) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2,6-bis[(4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(4-nitrophenoxy)methyl]pyridine
PubChem CID4984267
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2,6-bis[(4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cccc(COc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H15N3O6/c23-21(24)16-4-8-18(9-5-16)27-12-14-2-1-3-15(20-14)13-28-19-10-6-17(7-11-19)22(25)26/h1-11H,12-13H2
InChIKeyUEIFYTDCYPUGKL-UHFFFAOYSA-N
XLogP4.06
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2,6-bis[(4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2,6-bis[(4-nitrophenoxy)methyl]pyridine (CID 4984267) is 2,6-bis[(4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2,6-bis[(4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(OCc2cccc(COc3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 2,6-bis[(4-nitrophenoxy)methyl]pyridine?
The InChIKey is UEIFYTDCYPUGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-21(24)16-4-8-18(9-5-16)27-12-14-2-1-3-15(20-14)13-28-19-10-6-17(7-11-19)22(25)26/h1-11H,12-13H2.
What are the key properties of 2,6-bis[(4-nitrophenoxy)methyl]pyridine?
2,6-bis[(4-nitrophenoxy)methyl]pyridine has a molecular weight of 381.34 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 4984267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).