2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone

C16H16FNO — CID 81273317

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)cc2C)nc1
InChIInChI=1S/C16H16FNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10H,3,9H2,1-2H3
InChIKeyNUMWCPQHEDQDST-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.52
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 81273317) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID81273317
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)cc2C)nc1
InChIInChI=1S/C16H16FNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10H,3,9H2,1-2H3
InChIKeyNUMWCPQHEDQDST-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
CID 79740577
1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 114022019
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone (CID 81273317) is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(F)cc2C)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is NUMWCPQHEDQDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-3-12-4-6-14(18-10-12)9-16(19)15-7-5-13(17)8-11(15)2/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 81273317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).