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

C18H14N2O3 — CID 118735169

IUPAC4-(4-nitro-2-phenylmethoxyphenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccncc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-6-7-17(15-8-10-19-11-9-15)18(12-16)23-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyOVXKQKSKDOQCOM-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.24
Rot. Bonds5

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

4-(4-nitro-2-phenylmethoxyphenyl)pyridine (PubChem CID 118735169) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(4-nitro-2-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name4-(4-nitro-2-phenylmethoxyphenyl)pyridine
PubChem CID118735169
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-(4-nitro-2-phenylmethoxyphenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccncc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-6-7-17(15-8-10-19-11-9-15)18(12-16)23-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyOVXKQKSKDOQCOM-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
N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine
CID 132159987
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
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
3-(4-Nitro-2-phenylmethoxyphenyl)pyridine
CID 118735166
3-[4-Nitro-2-(2-phenylethoxy)phenyl]pyridine
CID 118735167
3-[4-Nitro-2-(3-phenylpropoxy)phenyl]pyridine
CID 118735168

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The IUPAC name of 4-(4-nitro-2-phenylmethoxyphenyl)pyridine (CID 118735169) is 4-(4-nitro-2-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 4-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 4-(4-nitro-2-phenylmethoxyphenyl)pyridine is O=[N+]([O-])c1ccc(-c2ccncc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(4-nitro-2-phenylmethoxyphenyl)pyridine?
The InChIKey is OVXKQKSKDOQCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-20(22)16-6-7-17(15-8-10-19-11-9-15)18(12-16)23-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 4-(4-nitro-2-phenylmethoxyphenyl)pyridine?
4-(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 4-(4-nitro-2-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 118735169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).