2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine

C10H12N2O4 — CID 58579338

IUPAC2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine
SMILESC=C(OCC)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-4-16-7(2)10-8(12(13)14)5-6-9(11-10)15-3/h5-6H,2,4H2,1,3H3
InChIKeyJZKQRVRKEJFVLY-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.01
Rot. Bonds5

About 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine

2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine (PubChem CID 58579338) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine
PubChem CID58579338
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine
SMILESC=C(OCC)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-4-16-7(2)10-8(12(13)14)5-6-9(11-10)15-3/h5-6H,2,4H2,1,3H3
InChIKeyJZKQRVRKEJFVLY-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine (CID 58579338) is 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine is C=C(OCC)c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine?
The InChIKey is JZKQRVRKEJFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-4-16-7(2)10-8(12(13)14)5-6-9(11-10)15-3/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine?
2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine has a molecular weight of 224.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 58579338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).