2-fluoro-5-[(1S)-1-phenylbutyl]pyridine

C15H16FN — CID 164669280

IUPAC2-fluoro-5-[(1S)-1-phenylbutyl]pyridine
SMILESCCC[C@@H](c1ccccc1)c1ccc(F)nc1
InChIInChI=1S/C15H16FN/c1-2-6-14(12-7-4-3-5-8-12)13-9-10-15(16)17-11-13/h3-5,7-11,14H,2,6H2,1H3/t14-/m0/s1
InChIKeyWJYVDCBRWHTHCF-AWEZNQCLSA-N
MW229.30 g/mol
LogP4.15
Rot. Bonds4

About 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine

2-fluoro-5-[(1S)-1-phenylbutyl]pyridine (PubChem CID 164669280) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[(1S)-1-phenylbutyl]pyridine
PubChem CID164669280
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-fluoro-5-[(1S)-1-phenylbutyl]pyridine
SMILESCCC[C@@H](c1ccccc1)c1ccc(F)nc1
InChIInChI=1S/C15H16FN/c1-2-6-14(12-7-4-3-5-8-12)13-9-10-15(16)17-11-13/h3-5,7-11,14H,2,6H2,1H3/t14-/m0/s1
InChIKeyWJYVDCBRWHTHCF-AWEZNQCLSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.15
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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Related Compounds

Nicotine
CID 89594
Paraquat dichloride
CID 15938
Triprolidine
CID 5282443
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Zimelidine
CID 5365247
Paraquat
CID 15939
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine?
The IUPAC name of 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine (CID 164669280) is 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine?
The canonical SMILES for 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine is CCC[C@@H](c1ccccc1)c1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine?
The InChIKey is WJYVDCBRWHTHCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16FN/c1-2-6-14(12-7-4-3-5-8-12)13-9-10-15(16)17-11-13/h3-5,7-11,14H,2,6H2,1H3/t14-/m0/s1.
What are the key properties of 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine?
2-fluoro-5-[(1S)-1-phenylbutyl]pyridine has a molecular weight of 229.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1S)-1-phenylbutyl]pyridine is sourced from PubChem (CID 164669280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).