2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine

C16H17F2N — CID 19765340

IUPAC2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine
SMILESCCCc1ccc(CCc2ccc(F)nc2F)cc1
InChIInChI=1S/C16H17F2N/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-11-15(17)19-16(14)18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyJSUDKSTWIZOYAV-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.10
Rot. Bonds5

About 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine

2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine (PubChem CID 19765340) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine
PubChem CID19765340
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine
SMILESCCCc1ccc(CCc2ccc(F)nc2F)cc1
InChIInChI=1S/C16H17F2N/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-11-15(17)19-16(14)18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyJSUDKSTWIZOYAV-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.10
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

2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
CID 19765751
6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine
CID 23179569
2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
CID 134237119
1-fluoro-4-propylbenzene
CID 2737505
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
CID 67924025
2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
CID 19765437
2-fluoro-5-[4-(4-propylphenyl)phenyl]pyridine
CID 19765553
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
CID 19765404
3-ethyl-2-fluoro-6-propylpyridine
CID 121444063
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
3-[2-(4-butylphenyl)ethynyl]-2,6-difluoropyridine
CID 19765720

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine (CID 19765340) is 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine is CCCc1ccc(CCc2ccc(F)nc2F)cc1.
What is the InChIKey of 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine?
The InChIKey is JSUDKSTWIZOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-11-15(17)19-16(14)18/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine?
2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine has a molecular weight of 261.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine is sourced from PubChem (CID 19765340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).