2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine

C11H14N2O4 — CID 15067099

IUPAC2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
SMILESCOCCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O4/c1-9(13(14)15)7-10-3-4-11(12-8-10)17-6-5-16-2/h3-4,7-8H,5-6H2,1-2H3/b9-7+
InChIKeyAAOYRLSLUAMVJO-VQHVLOKHSA-N
MW238.24 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine

2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine (PubChem CID 15067099) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
PubChem CID15067099
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
SMILESCOCCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O4/c1-9(13(14)15)7-10-3-4-11(12-8-10)17-6-5-16-2/h3-4,7-8H,5-6H2,1-2H3/b9-7+
InChIKeyAAOYRLSLUAMVJO-VQHVLOKHSA-N
XLogP1.74
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067101
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
CID 77098903
2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 114938188
2-[4-(2-nitroprop-1-enyl)phenyl]sulfanylethanol
CID 70529156
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304
methyl 3-[4-[(Z)-2-nitroprop-1-enyl]phenyl]sulfanylpropanoate
CID 171377492
2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 67384790
2-nitroprop-1-enylbenzene
CID 12807
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
2-methoxy-5-[(Z)-2-nitrosoprop-1-enyl]pyridine
CID 89164549
[2-methoxy-4-(2-nitroprop-1-enyl)phenyl] acetate
CID 4223737
5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
CID 146273679

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine (CID 15067099) is 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine is COCCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1.
What is the InChIKey of 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine?
The InChIKey is AAOYRLSLUAMVJO-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-9(13(14)15)7-10-3-4-11(12-8-10)17-6-5-16-2/h3-4,7-8H,5-6H2,1-2H3/b9-7+.
What are the key properties of 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine?
2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine has a molecular weight of 238.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine is sourced from PubChem (CID 15067099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).