5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine

C16H10FN3O2 — CID 71059621

IUPAC5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ccc(F)nc2)cnc1-c1ccccc1
InChIInChI=1S/C16H10FN3O2/c17-15-7-6-12(9-18-15)13-8-14(20(21)22)16(19-10-13)11-4-2-1-3-5-11/h1-10H
InChIKeyYVWDOBCZLZHTEU-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.86
Rot. Bonds3

About 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine

5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine (PubChem CID 71059621) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine
PubChem CID71059621
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ccc(F)nc2)cnc1-c1ccccc1
InChIInChI=1S/C16H10FN3O2/c17-15-7-6-12(9-18-15)13-8-14(20(21)22)16(19-10-13)11-4-2-1-3-5-11/h1-10H
InChIKeyYVWDOBCZLZHTEU-UHFFFAOYSA-N
XLogP3.86
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine (CID 71059621) is 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine is O=[N+]([O-])c1cc(-c2ccc(F)nc2)cnc1-c1ccccc1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine?
The InChIKey is YVWDOBCZLZHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-15-7-6-12(9-18-15)13-8-14(20(21)22)16(19-10-13)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine?
5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine has a molecular weight of 295.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-3-nitro-2-phenylpyridine is sourced from PubChem (CID 71059621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).