2-[2-(4-nitrophenyl)ethoxy]pyridine

C13H12N2O3 — CID 70249907

IUPAC2-[2-(4-nitrophenyl)ethoxy]pyridine
SMILESO=[N+]([O-])c1ccc(CCOc2ccccn2)cc1
InChIInChI=1S/C13H12N2O3/c16-15(17)12-6-4-11(5-7-12)8-10-18-13-3-1-2-9-14-13/h1-7,9H,8,10H2
InChIKeyXJUJHCZSILNZIE-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(4-nitrophenyl)ethoxy]pyridine

2-[2-(4-nitrophenyl)ethoxy]pyridine (PubChem CID 70249907) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)ethoxy]pyridine.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)ethoxy]pyridine
PubChem CID70249907
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[2-(4-nitrophenyl)ethoxy]pyridine
SMILESO=[N+]([O-])c1ccc(CCOc2ccccn2)cc1
InChIInChI=1S/C13H12N2O3/c16-15(17)12-6-4-11(5-7-12)8-10-18-13-3-1-2-9-14-13/h1-7,9H,8,10H2
InChIKeyXJUJHCZSILNZIE-UHFFFAOYSA-N
XLogP2.61
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.61
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

2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
2-[(3-nitrophenyl)methoxy]pyridine
CID 112788687
1-nitro-4-(2-trityloxyethyl)benzene
CID 17201978
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
CID 133349539
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
(1S)-1-[4-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 78933389
3-[2-(4-nitrophenyl)ethoxy]benzaldehyde
CID 43520034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)ethoxy]pyridine?
The IUPAC name of 2-[2-(4-nitrophenyl)ethoxy]pyridine (CID 70249907) is 2-[2-(4-nitrophenyl)ethoxy]pyridine.
What is the SMILES notation for 2-[2-(4-nitrophenyl)ethoxy]pyridine?
The canonical SMILES for 2-[2-(4-nitrophenyl)ethoxy]pyridine is O=[N+]([O-])c1ccc(CCOc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)ethoxy]pyridine?
The InChIKey is XJUJHCZSILNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-15(17)12-6-4-11(5-7-12)8-10-18-13-3-1-2-9-14-13/h1-7,9H,8,10H2.
What are the key properties of 2-[2-(4-nitrophenyl)ethoxy]pyridine?
2-[2-(4-nitrophenyl)ethoxy]pyridine has a molecular weight of 244.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)ethoxy]pyridine is sourced from PubChem (CID 70249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).