5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine

C16H15F2N — CID 146292628

IUPAC5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
SMILESC/C=C(/F)c1ncc(-c2cccc(C)c2F)cc1C
InChIInChI=1S/C16H15F2N/c1-4-14(17)16-11(3)8-12(9-19-16)13-7-5-6-10(2)15(13)18/h4-9H,1-3H3/b14-4+
InChIKeyHBNNSYOOUFYQCK-LNKIKWGQSA-N
MW259.30 g/mol
LogP4.83
Rot. Bonds2

About 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine

5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine (PubChem CID 146292628) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
PubChem CID146292628
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
SMILESC/C=C(/F)c1ncc(-c2cccc(C)c2F)cc1C
InChIInChI=1S/C16H15F2N/c1-4-14(17)16-11(3)8-12(9-19-16)13-7-5-6-10(2)15(13)18/h4-9H,1-3H3/b14-4+
InChIKeyHBNNSYOOUFYQCK-LNKIKWGQSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine (CID 146292628) is 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine is C/C=C(/F)c1ncc(-c2cccc(C)c2F)cc1C.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine?
The InChIKey is HBNNSYOOUFYQCK-LNKIKWGQSA-N. The full InChI is InChI=1S/C16H15F2N/c1-4-14(17)16-11(3)8-12(9-19-16)13-7-5-6-10(2)15(13)18/h4-9H,1-3H3/b14-4+.
What are the key properties of 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine?
5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine has a molecular weight of 259.30 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine is sourced from PubChem (CID 146292628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).