3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine

C19H16N2O3 — CID 118735167

IUPAC3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c22-21(23)17-8-9-18(16-7-4-11-20-14-16)19(13-17)24-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyJADGDGGIQZJLDU-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.28
Rot. Bonds6

About 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine

3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine (PubChem CID 118735167) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
PubChem CID118735167
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c22-21(23)17-8-9-18(16-7-4-11-20-14-16)19(13-17)24-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyJADGDGGIQZJLDU-UHFFFAOYSA-N
XLogP4.28
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

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2-(4-Benzyloxyphenoxy)-5-nitropyridine
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Orm-10103
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Frequently Asked Questions

What is the IUPAC name of 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The IUPAC name of 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine (CID 118735167) is 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine.
What is the SMILES notation for 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The canonical SMILES for 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine is O=[N+]([O-])c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The InChIKey is JADGDGGIQZJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-21(23)17-8-9-18(16-7-4-11-20-14-16)19(13-17)24-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2.
What are the key properties of 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine has a molecular weight of 320.35 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine is sourced from PubChem (CID 118735167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).