2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone

C15H14FNO2 — CID 105128433

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(C)nc2)c1F
InChIInChI=1S/C15H14FNO2/c1-10-6-7-12(9-17-10)13(18)8-11-4-3-5-14(19-2)15(11)16/h3-7,9H,8H2,1-2H3
InChIKeyRJIHWYIXCOHRKC-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone

2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 105128433) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID105128433
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(C)nc2)c1F
InChIInChI=1S/C15H14FNO2/c1-10-6-7-12(9-17-10)13(18)8-11-4-3-5-14(19-2)15(11)16/h3-7,9H,8H2,1-2H3
InChIKeyRJIHWYIXCOHRKC-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-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
CID 104793521
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 103214368
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone (CID 105128433) is 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone is COc1cccc(CC(=O)c2ccc(C)nc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is RJIHWYIXCOHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-6-7-12(9-17-10)13(18)8-11-4-3-5-14(19-2)15(11)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone?
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)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 2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105128433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).