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

C10H12N2O3 — CID 15067101

IUPAC2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
SMILESCCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1
InChIInChI=1S/C10H12N2O3/c1-3-15-10-5-4-9(7-11-10)6-8(2)12(13)14/h4-7H,3H2,1-2H3/b8-6+
InChIKeyAKZHSKBTKLEXDZ-SOFGYWHQSA-N
MW208.22 g/mol
LogP2.12
Rot. Bonds4

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

2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine (PubChem CID 15067101) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
PubChem CID15067101
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
SMILESCCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1
InChIInChI=1S/C10H12N2O3/c1-3-15-10-5-4-9(7-11-10)6-8(2)12(13)14/h4-7H,3H2,1-2H3/b8-6+
InChIKeyAKZHSKBTKLEXDZ-SOFGYWHQSA-N
XLogP2.12
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.12
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-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067099
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
CID 67696229
2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 114938188
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
CID 77098903
diethyl 2-[4-(2-nitroprop-1-enyl)phenoxy]propanedioate
CID 54235317
2-nitroprop-1-enylbenzene
CID 12807
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
N-[4-(2-nitroprop-1-enyl)phenyl]acetamide
CID 583179
[4-[(E)-2-nitroprop-1-enyl]phenyl] ethaneperoxoate
CID 23199922
1-(2-nitroprop-1-enyl)-4-(trifluoromethoxy)benzene
CID 53396123

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine?
The IUPAC name of 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine (CID 15067101) is 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine.
What is the SMILES notation for 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine?
The canonical SMILES for 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine is CCOc1ccc(/C=C(\C)[N+](=O)[O-])cn1.
What is the InChIKey of 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine?
The InChIKey is AKZHSKBTKLEXDZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-15-10-5-4-9(7-11-10)6-8(2)12(13)14/h4-7H,3H2,1-2H3/b8-6+.
What are the key properties of 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine?
2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine has a molecular weight of 208.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine is sourced from PubChem (CID 15067101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).