2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine

C16H10FN3O2 — CID 90024371

IUPAC2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1cc(-c2cccnc2)c(F)nc1-c1ccccc1
InChIInChI=1S/C16H10FN3O2/c17-16-13(12-7-4-8-18-10-12)9-14(20(21)22)15(19-16)11-5-2-1-3-6-11/h1-10H
InChIKeyTWBZTQUQPIOKJW-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.86
Rot. Bonds3

About 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine

2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine (PubChem CID 90024371) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine
PubChem CID90024371
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1cc(-c2cccnc2)c(F)nc1-c1ccccc1
InChIInChI=1S/C16H10FN3O2/c17-16-13(12-7-4-8-18-10-12)9-14(20(21)22)15(19-16)11-5-2-1-3-6-11/h1-10H
InChIKeyTWBZTQUQPIOKJW-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 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine?
The IUPAC name of 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine (CID 90024371) is 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine.
What is the SMILES notation for 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine?
The canonical SMILES for 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine is O=[N+]([O-])c1cc(-c2cccnc2)c(F)nc1-c1ccccc1.
What is the InChIKey of 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine?
The InChIKey is TWBZTQUQPIOKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-16-13(12-7-4-8-18-10-12)9-14(20(21)22)15(19-16)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine?
2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine 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 2-fluoro-5-nitro-6-phenyl-3-pyridin-3-ylpyridine is sourced from PubChem (CID 90024371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).