1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one

C15H14FNO2 — CID 113453730

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCOc1cccc(CC(=O)Cc2cccnc2)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14-6-2-5-12(15(14)16)9-13(18)8-11-4-3-7-17-10-11/h2-7,10H,8-9H2,1H3
InChIKeyVXWFMBWNKYXFQC-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one

1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one (PubChem CID 113453730) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
PubChem CID113453730
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCOc1cccc(CC(=O)Cc2cccnc2)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14-6-2-5-12(15(14)16)9-13(18)8-11-4-3-7-17-10-11/h2-7,10H,8-9H2,1H3
InChIKeyVXWFMBWNKYXFQC-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one (CID 113453730) is 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one is COc1cccc(CC(=O)Cc2cccnc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The InChIKey is VXWFMBWNKYXFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-14-6-2-5-12(15(14)16)9-13(18)8-11-4-3-7-17-10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one has a molecular weight of 259.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 113453730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).