5-nitro-2-(4-phenylmethoxyphenoxy)pyridine

C18H14N2O4 — CID 2799698

IUPAC5-nitro-2-(4-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C18H14N2O4/c21-20(22)15-6-11-18(19-12-15)24-17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeySSWIRWXDAZDCQU-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.36
Rot. Bonds6

About 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine

5-nitro-2-(4-phenylmethoxyphenoxy)pyridine (PubChem CID 2799698) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-nitro-2-(4-phenylmethoxyphenoxy)pyridine
PubChem CID2799698
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name5-nitro-2-(4-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C18H14N2O4/c21-20(22)15-6-11-18(19-12-15)24-17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeySSWIRWXDAZDCQU-UHFFFAOYSA-N
XLogP4.36
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The IUPAC name of 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine (CID 2799698) is 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine.
What is the SMILES notation for 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The canonical SMILES for 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine is O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The InChIKey is SSWIRWXDAZDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-20(22)15-6-11-18(19-12-15)24-17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
5-nitro-2-(4-phenylmethoxyphenoxy)pyridine has a molecular weight of 322.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(4-phenylmethoxyphenoxy)pyridine is sourced from PubChem (CID 2799698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).