2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine

C11H14N2O3 — CID 164570619

IUPAC2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCOc1ncccc1/C=C(\C(C)C)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)7-9-5-4-6-12-11(9)16-3/h4-8H,1-3H3/b10-7+
InChIKeyOJDHDWDOJDIMII-JXMROGBWSA-N
MW222.24 g/mol
LogP2.36
Rot. Bonds4

About 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine

2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine (PubChem CID 164570619) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine
PubChem CID164570619
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCOc1ncccc1/C=C(\C(C)C)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)7-9-5-4-6-12-11(9)16-3/h4-8H,1-3H3/b10-7+
InChIKeyOJDHDWDOJDIMII-JXMROGBWSA-N
XLogP2.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine?
The IUPAC name of 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine (CID 164570619) is 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine?
The canonical SMILES for 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine is COc1ncccc1/C=C(\C(C)C)[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine?
The InChIKey is OJDHDWDOJDIMII-JXMROGBWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(2)10(13(14)15)7-9-5-4-6-12-11(9)16-3/h4-8H,1-3H3/b10-7+.
What are the key properties of 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine?
2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine has a molecular weight of 222.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine is sourced from PubChem (CID 164570619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).