3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine

C25H20N2O4 — CID 170322517

IUPAC3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c28-27(29)22-13-11-21(12-14-22)23-15-16-24(30-17-19-7-3-1-4-8-19)26-25(23)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyGUIFZEQHGMORPF-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.81
Rot. Bonds8

About 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine

3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine (PubChem CID 170322517) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
PubChem CID170322517
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c28-27(29)22-13-11-21(12-14-22)23-15-16-24(30-17-19-7-3-1-4-8-19)26-25(23)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyGUIFZEQHGMORPF-UHFFFAOYSA-N
XLogP5.81
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]-4-[2-(2-fluoro-4-nitrophenyl)ethyl]piperazine
CID 177362508
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-(4-nitrophenyl)-2-phenylmethoxybenzoic acid
CID 70183930
2-[2,6-bis(phenylmethoxy)-3-pyridinyl]-6-[4-(2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 178128904
6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
CID 172630666
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
CID 175796163
tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
CID 166552767

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine?
The IUPAC name of 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine (CID 170322517) is 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine?
The canonical SMILES for 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine is O=[N+]([O-])c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine?
The InChIKey is GUIFZEQHGMORPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-27(29)22-13-11-21(12-14-22)23-15-16-24(30-17-19-7-3-1-4-8-19)26-25(23)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine?
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine has a molecular weight of 412.45 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 170322517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).