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

C18H14N2O4 — CID 2799697

IUPAC3-nitro-2-(4-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c21-20(22)17-7-4-12-19-18(17)24-16-10-8-15(9-11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyASRRYTJDPMUOHW-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.36
Rot. Bonds6

About 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine

3-nitro-2-(4-phenylmethoxyphenoxy)pyridine (PubChem CID 2799697) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-nitro-2-(4-phenylmethoxyphenoxy)pyridine
PubChem CID2799697
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name3-nitro-2-(4-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c21-20(22)17-7-4-12-19-18(17)24-16-10-8-15(9-11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyASRRYTJDPMUOHW-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 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The IUPAC name of 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine (CID 2799697) is 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine.
What is the SMILES notation for 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The canonical SMILES for 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine is O=[N+]([O-])c1cccnc1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
The InChIKey is ASRRYTJDPMUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-20(22)17-7-4-12-19-18(17)24-16-10-8-15(9-11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine?
3-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 3-nitro-2-(4-phenylmethoxyphenoxy)pyridine is sourced from PubChem (CID 2799697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).