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

C19H16N2O3 — CID 118735172

IUPAC3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)cc1OCCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-21(23)18-9-8-16(17-7-4-11-20-14-17)13-19(18)24-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyWNYPYRALTLDIFT-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.28
Rot. Bonds6

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

3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine (PubChem CID 118735172) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine
PubChem CID118735172
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)cc1OCCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-21(23)18-9-8-16(17-7-4-11-20-14-17)13-19(18)24-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyWNYPYRALTLDIFT-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

3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(3-nitro-phenyl)-pyridine
CID 9843146
3-[(4-Nitrophenyl)methoxy]pyridine
CID 1503576
8-[(4-Nitrophenyl)methoxy]quinoline
CID 372051
2-(4-Benzyloxyphenoxy)-5-nitropyridine
CID 2799698
Orm-10103
CID 17978512
8-[3-(4-Nitrophenoxy)propoxy]quinoline
CID 2284782
8-[3-(2-Nitrophenoxy)propoxy]quinoline
CID 2288896
2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
CID 71271135
2-[[3-[(2-Nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
CID 71271136
2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine
CID 122604466
3-Nitro-2-(4-phenylmethoxyphenoxy)pyridine
CID 2799697
8-{2-[2-(2-Nitrophenoxy)ethoxy]ethoxy}quinoline
CID 2288863

Frequently Asked Questions

What is the IUPAC name of 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine?
The IUPAC name of 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine (CID 118735172) is 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine.
What is the SMILES notation for 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine?
The canonical SMILES for 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine is O=[N+]([O-])c1ccc(-c2cccnc2)cc1OCCc1ccccc1.
What is the InChIKey of 3-[4-nitro-3-(2-phenylethoxy)phenyl]pyridine?
The InChIKey is WNYPYRALTLDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-21(23)18-9-8-16(17-7-4-11-20-14-17)13-19(18)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-3-(2-phenylethoxy)phenyl]pyridine?
3-[4-nitro-3-(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-3-(2-phenylethoxy)phenyl]pyridine is sourced from PubChem (CID 118735172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).