3-[(E)-2-nitroethenyl]pyridine

C7H6N2O2 — CID 5373109

IUPAC3-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cccnc1
InChIInChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H/b5-3+
InChIKeyHIXBXAXEKNYDHU-HWKANZROSA-N
MW150.14 g/mol
LogP1.33
Rot. Bonds2

About 3-[(E)-2-nitroethenyl]pyridine

3-[(E)-2-nitroethenyl]pyridine (PubChem CID 5373109) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-[(E)-2-nitroethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-nitroethenyl]pyridine
PubChem CID5373109
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cccnc1
InChIInChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H/b5-3+
InChIKeyHIXBXAXEKNYDHU-HWKANZROSA-N
XLogP1.33
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[(E)-2-nitroethenyl]pyridine?
The IUPAC name of 3-[(E)-2-nitroethenyl]pyridine (CID 5373109) is 3-[(E)-2-nitroethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-nitroethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-nitroethenyl]pyridine is O=[N+]([O-])/C=C/c1cccnc1.
What is the InChIKey of 3-[(E)-2-nitroethenyl]pyridine?
The InChIKey is HIXBXAXEKNYDHU-HWKANZROSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H/b5-3+.
What are the key properties of 3-[(E)-2-nitroethenyl]pyridine?
3-[(E)-2-nitroethenyl]pyridine has a molecular weight of 150.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-nitroethenyl]pyridine is sourced from PubChem (CID 5373109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).