1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone

C16H16FNO — CID 79722512

IUPAC1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(F)cn2)c(C)c1
InChIInChI=1S/C16H16FNO/c1-10-6-11(2)14(12(3)7-10)8-16(19)15-5-4-13(17)9-18-15/h4-7,9H,8H2,1-3H3
InChIKeyQWZMEJAWFCTSHP-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.57
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 79722512) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID79722512
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(F)cn2)c(C)c1
InChIInChI=1S/C16H16FNO/c1-10-6-11(2)14(12(3)7-10)8-16(19)15-5-4-13(17)9-18-15/h4-7,9H,8H2,1-3H3
InChIKeyQWZMEJAWFCTSHP-UHFFFAOYSA-N
XLogP3.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79721702
1-(5-fluoro-2-pyridinyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 83120325
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
CID 158154885
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 79722512) is 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2ccc(F)cn2)c(C)c1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is QWZMEJAWFCTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-6-11(2)14(12(3)7-10)8-16(19)15-5-4-13(17)9-18-15/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 79722512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).