2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone

C15H14FNO2 — CID 63553614

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(C)n2)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-4-3-5-13(17-10)14(18)9-11-6-7-15(19-2)12(16)8-11/h3-8H,9H2,1-2H3
InChIKeyPOGNFZTUUJJQMH-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 63553614) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID63553614
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc(C)n2)cc1F
InChIInChI=1S/C15H14FNO2/c1-10-4-3-5-13(17-10)14(18)9-11-6-7-15(19-2)12(16)8-11/h3-8H,9H2,1-2H3
InChIKeyPOGNFZTUUJJQMH-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-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 32767746
2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63556118
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116585639
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961935

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone (CID 63553614) is 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone is COc1ccc(CC(=O)c2cccc(C)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is POGNFZTUUJJQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-4-3-5-13(17-10)14(18)9-11-6-7-15(19-2)12(16)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-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-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 63553614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).