1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone

C15H14FNO2 — CID 105085227

IUPAC1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cncc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-3-4-15(19-2)11(5-10)7-14(18)12-6-13(16)9-17-8-12/h3-6,8-9H,7H2,1-2H3
InChIKeyLVRHASMQXSULFH-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 105085227) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID105085227
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cncc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-3-4-15(19-2)11(5-10)7-14(18)12-6-13(16)9-17-8-12/h3-6,8-9H,7H2,1-2H3
InChIKeyLVRHASMQXSULFH-UHFFFAOYSA-N
XLogP2.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione
CID 167552786
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 105085227) is 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is LVRHASMQXSULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-3-4-15(19-2)11(5-10)7-14(18)12-6-13(16)9-17-8-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 259.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 105085227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).