5-tert-butyl-2-fluoro-3-phenylpyridine

C15H16FN — CID 165372109

IUPAC5-tert-butyl-2-fluoro-3-phenylpyridine
SMILESCC(C)(C)c1cnc(F)c(-c2ccccc2)c1
InChIInChI=1S/C15H16FN/c1-15(2,3)12-9-13(14(16)17-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyWGLPFLDTQDADLL-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.19
Rot. Bonds1

About 5-tert-butyl-2-fluoro-3-phenylpyridine

5-tert-butyl-2-fluoro-3-phenylpyridine (PubChem CID 165372109) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-3-phenylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-3-phenylpyridine
PubChem CID165372109
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name5-tert-butyl-2-fluoro-3-phenylpyridine
SMILESCC(C)(C)c1cnc(F)c(-c2ccccc2)c1
InChIInChI=1S/C15H16FN/c1-15(2,3)12-9-13(14(16)17-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyWGLPFLDTQDADLL-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-3-phenylpyridine?
The IUPAC name of 5-tert-butyl-2-fluoro-3-phenylpyridine (CID 165372109) is 5-tert-butyl-2-fluoro-3-phenylpyridine.
What is the SMILES notation for 5-tert-butyl-2-fluoro-3-phenylpyridine?
The canonical SMILES for 5-tert-butyl-2-fluoro-3-phenylpyridine is CC(C)(C)c1cnc(F)c(-c2ccccc2)c1.
What is the InChIKey of 5-tert-butyl-2-fluoro-3-phenylpyridine?
The InChIKey is WGLPFLDTQDADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-15(2,3)12-9-13(14(16)17-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-tert-butyl-2-fluoro-3-phenylpyridine?
5-tert-butyl-2-fluoro-3-phenylpyridine has a molecular weight of 229.30 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-3-phenylpyridine is sourced from PubChem (CID 165372109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).