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

C7H5FN2O2 — CID 119082644

IUPAC4-fluoro-3-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cnccc1F
InChIInChI=1S/C7H5FN2O2/c8-7-1-3-9-5-6(7)2-4-10(11)12/h1-5H/b4-2+
InChIKeyVYKHOXJUWQUYFU-DUXPYHPUSA-N
MW168.13 g/mol
LogP1.47
Rot. Bonds2

About 4-fluoro-3-[(E)-2-nitroethenyl]pyridine

4-fluoro-3-[(E)-2-nitroethenyl]pyridine (PubChem CID 119082644) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is 4-fluoro-3-[(E)-2-nitroethenyl]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[(E)-2-nitroethenyl]pyridine
PubChem CID119082644
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name4-fluoro-3-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cnccc1F
InChIInChI=1S/C7H5FN2O2/c8-7-1-3-9-5-6(7)2-4-10(11)12/h1-5H/b4-2+
InChIKeyVYKHOXJUWQUYFU-DUXPYHPUSA-N
XLogP1.47
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.47
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 4-fluoro-3-[(E)-2-nitroethenyl]pyridine?
The IUPAC name of 4-fluoro-3-[(E)-2-nitroethenyl]pyridine (CID 119082644) is 4-fluoro-3-[(E)-2-nitroethenyl]pyridine.
What is the SMILES notation for 4-fluoro-3-[(E)-2-nitroethenyl]pyridine?
The canonical SMILES for 4-fluoro-3-[(E)-2-nitroethenyl]pyridine is O=[N+]([O-])/C=C/c1cnccc1F.
What is the InChIKey of 4-fluoro-3-[(E)-2-nitroethenyl]pyridine?
The InChIKey is VYKHOXJUWQUYFU-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H5FN2O2/c8-7-1-3-9-5-6(7)2-4-10(11)12/h1-5H/b4-2+.
What are the key properties of 4-fluoro-3-[(E)-2-nitroethenyl]pyridine?
4-fluoro-3-[(E)-2-nitroethenyl]pyridine has a molecular weight of 168.13 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(E)-2-nitroethenyl]pyridine is sourced from PubChem (CID 119082644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).