2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine

C21H20N2O5 — CID 66858018

IUPAC2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
SMILESCOc1ccc(CCOc2cccc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-19-10-9-15(13-20(19)27-2)11-12-28-21-8-4-7-18(22-21)16-5-3-6-17(14-16)23(24)25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyBLMLGZFEZUFGPI-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.30
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine

2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine (PubChem CID 66858018) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
PubChem CID66858018
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
SMILESCOc1ccc(CCOc2cccc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-19-10-9-15(13-20(19)27-2)11-12-28-21-8-4-7-18(22-21)16-5-3-6-17(14-16)23(24)25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyBLMLGZFEZUFGPI-UHFFFAOYSA-N
XLogP4.30
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile
CID 58103215
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
CID 58103339
2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone
CID 58103503
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
N'-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]butanediamide
CID 58103273
3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
CID 58103239
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283
2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 58103300
2-(3,4-dimethoxyphenyl)ethyl-[(3-nitrophenyl)methyl]azanium
CID 2168782
1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 66872460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine (CID 66858018) is 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine is COc1ccc(CCOc2cccc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine?
The InChIKey is BLMLGZFEZUFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-19-10-9-15(13-20(19)27-2)11-12-28-21-8-4-7-18(22-21)16-5-3-6-17(14-16)23(24)25/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine?
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine has a molecular weight of 380.40 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine is sourced from PubChem (CID 66858018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).