2-[2-(2-nitrophenoxy)ethyl]pyridine

C13H12N2O3 — CID 68857749

IUPAC2-[2-(2-nitrophenoxy)ethyl]pyridine
SMILESO=[N+]([O-])c1ccccc1OCCc1ccccn1
InChIInChI=1S/C13H12N2O3/c16-15(17)12-6-1-2-7-13(12)18-10-8-11-5-3-4-9-14-11/h1-7,9H,8,10H2
InChIKeyLNSHXTXXJWCLKO-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(2-nitrophenoxy)ethyl]pyridine

2-[2-(2-nitrophenoxy)ethyl]pyridine (PubChem CID 68857749) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[2-(2-nitrophenoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(2-nitrophenoxy)ethyl]pyridine
PubChem CID68857749
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[2-(2-nitrophenoxy)ethyl]pyridine
SMILESO=[N+]([O-])c1ccccc1OCCc1ccccn1
InChIInChI=1S/C13H12N2O3/c16-15(17)12-6-1-2-7-13(12)18-10-8-11-5-3-4-9-14-11/h1-7,9H,8,10H2
InChIKeyLNSHXTXXJWCLKO-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-[5-(bromomethyl)-2-nitrophenoxy]ethyl]pyridine
CID 62116788
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-[3-(2-nitrophenoxy)propyl]-1H-imidazole
CID 173130185
bis(2-pyridin-2-ylethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 23584963
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenoxy)ethyl]pyridine?
The IUPAC name of 2-[2-(2-nitrophenoxy)ethyl]pyridine (CID 68857749) is 2-[2-(2-nitrophenoxy)ethyl]pyridine.
What is the SMILES notation for 2-[2-(2-nitrophenoxy)ethyl]pyridine?
The canonical SMILES for 2-[2-(2-nitrophenoxy)ethyl]pyridine is O=[N+]([O-])c1ccccc1OCCc1ccccn1.
What is the InChIKey of 2-[2-(2-nitrophenoxy)ethyl]pyridine?
The InChIKey is LNSHXTXXJWCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-15(17)12-6-1-2-7-13(12)18-10-8-11-5-3-4-9-14-11/h1-7,9H,8,10H2.
What are the key properties of 2-[2-(2-nitrophenoxy)ethyl]pyridine?
2-[2-(2-nitrophenoxy)ethyl]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-(2-nitrophenoxy)ethyl]pyridine is sourced from PubChem (CID 68857749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).