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

C19H16N2O3 — CID 118735170

IUPAC4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyNJQHXTMWQLKXLM-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.28
Rot. Bonds6

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

4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine (PubChem CID 118735170) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
PubChem CID118735170
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyNJQHXTMWQLKXLM-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-[(4-Nitrophenyl)methoxy]pyridine
CID 1503576
2-(4-Benzyloxyphenoxy)-5-nitropyridine
CID 2799698
5-(3-Nitrobenzyloxy)-3-(4-methylpiperazin-1-yl)quinoline
CID 52937192
US9663529, Example I-62
CID 121363957
3-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973810
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625
Nitroso[4-(phenylmethoxy)phenyl](2-(4-pyridyl)ethyl)amine
CID 3131849
2-[(E)-2-(4-Diethylamino-2-methoxy-phenyl)-vinyl]-1-methyl-pyridinium
CID 23724418
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 118717600
N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)acetamide
CID 118735163
3-(Benzyloxy)-4-(pyridin-3-yl)aniline
CID 118735165

Frequently Asked Questions

What is the IUPAC name of 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The IUPAC name of 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine (CID 118735170) is 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine.
What is the SMILES notation for 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The canonical SMILES for 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine is O=[N+]([O-])c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
The InChIKey is NJQHXTMWQLKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2.
What are the key properties of 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine?
4-[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 4-[4-nitro-2-(2-phenylethoxy)phenyl]pyridine is sourced from PubChem (CID 118735170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).