2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine

C18H13ClN2O4 — CID 154663357

IUPAC2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OCc3cccc(Cl)n3)cc2)cc1
InChIInChI=1S/C18H13ClN2O4/c19-18-3-1-2-13(20-18)12-24-15-8-10-17(11-9-15)25-16-6-4-14(5-7-16)21(22)23/h1-11H,12H2
InChIKeyVOOGUBYQMJPSKI-UHFFFAOYSA-N
MW356.77 g/mol
LogP5.01
Rot. Bonds6

About 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine

2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine (PubChem CID 154663357) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
PubChem CID154663357
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Name2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OCc3cccc(Cl)n3)cc2)cc1
InChIInChI=1S/C18H13ClN2O4/c19-18-3-1-2-13(20-18)12-24-15-8-10-17(11-9-15)25-16-6-4-14(5-7-16)21(22)23/h1-11H,12H2
InChIKeyVOOGUBYQMJPSKI-UHFFFAOYSA-N
XLogP5.01
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.77
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine?
The IUPAC name of 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine (CID 154663357) is 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine is O=[N+]([O-])c1ccc(Oc2ccc(OCc3cccc(Cl)n3)cc2)cc1.
What is the InChIKey of 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine?
The InChIKey is VOOGUBYQMJPSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-18-3-1-2-13(20-18)12-24-15-8-10-17(11-9-15)25-16-6-4-14(5-7-16)21(22)23/h1-11H,12H2.
What are the key properties of 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine?
2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine has a molecular weight of 356.77 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 154663357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).