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

C18H14N2O3 — CID 118735166

IUPAC3-(4-nitro-2-phenylmethoxyphenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-8-9-17(15-7-4-10-19-12-15)18(11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyYLRVMCQQJPRAJA-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.24
Rot. Bonds5

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

3-(4-nitro-2-phenylmethoxyphenyl)pyridine (PubChem CID 118735166) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(4-nitro-2-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(4-nitro-2-phenylmethoxyphenyl)pyridine
PubChem CID118735166
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-(4-nitro-2-phenylmethoxyphenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-8-9-17(15-7-4-10-19-12-15)18(11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyYLRVMCQQJPRAJA-UHFFFAOYSA-N
XLogP4.24
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.24
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
Orm-10103
CID 17978512
2-[2,2-Bis(fluoromethyl)-6-nitrochromen-4-yl]-1-oxidopyridin-1-ium
CID 11131427
5-(3-Nitrobenzyloxy)-3-(4-methylpiperazin-1-yl)quinoline
CID 52937192
3-Nitro-2-(4-phenylmethoxyphenoxy)pyridine
CID 2799697
3-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973810
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
Nitroso[4-(phenylmethoxy)phenyl](2-(4-pyridyl)ethyl)amine
CID 3131849
(2E)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10046364
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 3-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The IUPAC name of 3-(4-nitro-2-phenylmethoxyphenyl)pyridine (CID 118735166) is 3-(4-nitro-2-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 3-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 3-(4-nitro-2-phenylmethoxyphenyl)pyridine is O=[N+]([O-])c1ccc(-c2cccnc2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The InChIKey is YLRVMCQQJPRAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-20(22)16-8-9-17(15-7-4-10-19-12-15)18(11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 3-(4-nitro-2-phenylmethoxyphenyl)pyridine?
3-(4-nitro-2-phenylmethoxyphenyl)pyridine has a molecular weight of 306.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitro-2-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 118735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).