5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine

C16H12F5N — CID 146292661

IUPAC5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine
SMILESC/C=C(\c1ncc(-c2cc(F)cc(F)c2)cc1C)C(F)(F)F
InChIInChI=1S/C16H12F5N/c1-3-14(16(19,20)21)15-9(2)4-11(8-22-15)10-5-12(17)7-13(18)6-10/h3-8H,1-2H3/b14-3+
InChIKeyDRAHUCVCEAURMO-LZWSPWQCSA-N
MW313.27 g/mol
LogP5.30
Rot. Bonds2

About 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine

5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine (PubChem CID 146292661) has the molecular formula C16H12F5N and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine
PubChem CID146292661
Molecular FormulaC16H12F5N
Molecular Weight313.27 g/mol
Exact Mass313.09
IUPAC Name5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine
SMILESC/C=C(\c1ncc(-c2cc(F)cc(F)c2)cc1C)C(F)(F)F
InChIInChI=1S/C16H12F5N/c1-3-14(16(19,20)21)15-9(2)4-11(8-22-15)10-5-12(17)7-13(18)6-10/h3-8H,1-2H3/b14-3+
InChIKeyDRAHUCVCEAURMO-LZWSPWQCSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.27
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
CID 146292543
5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
CID 146292628
2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine
CID 146292569
5-(3-fluorophenyl)-3-methyl-2-[(Z)-prop-1-enyl]pyridine
CID 146292550
5-(5-fluoro-3-pyridinyl)-3-methylpyridin-2-amine
CID 83171111
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
2-chloro-5-(3-fluorophenyl)-3-methylpyridine
CID 46312013
2-[(Z)-but-2-en-2-yl]-3-methyl-5-(5-methylthiophen-2-yl)pyridine
CID 146292667
2-(1-acetylpiperidin-4-yl)-N-[5-(3,5-difluorophenyl)-3-methyl-2-pyridinyl]acetamide
CID 58442844
2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine
CID 145230941
5-(3,4-difluorophenyl)-3-methyl-2-[(Z)-prop-1-enyl]pyridine
CID 146292521

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine?
The IUPAC name of 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine (CID 146292661) is 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine is C/C=C(\c1ncc(-c2cc(F)cc(F)c2)cc1C)C(F)(F)F.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine?
The InChIKey is DRAHUCVCEAURMO-LZWSPWQCSA-N. The full InChI is InChI=1S/C16H12F5N/c1-3-14(16(19,20)21)15-9(2)4-11(8-22-15)10-5-12(17)7-13(18)6-10/h3-8H,1-2H3/b14-3+.
What are the key properties of 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine?
5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine has a molecular weight of 313.27 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine is sourced from PubChem (CID 146292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).