1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one

C15H14FNO2 — CID 62620103

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCOc1ccc(CC(=O)Cc2cccnc2)cc1F
InChIInChI=1S/C15H14FNO2/c1-19-15-5-4-11(9-14(15)16)7-13(18)8-12-3-2-6-17-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyDRYVYYKEDQSCDP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.58
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one

1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one (PubChem CID 62620103) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
PubChem CID62620103
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCOc1ccc(CC(=O)Cc2cccnc2)cc1F
InChIInChI=1S/C15H14FNO2/c1-19-15-5-4-11(9-14(15)16)7-13(18)8-12-3-2-6-17-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyDRYVYYKEDQSCDP-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-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731152
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one (CID 62620103) is 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one is COc1ccc(CC(=O)Cc2cccnc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
The InChIKey is DRYVYYKEDQSCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-15-5-4-11(9-14(15)16)7-13(18)8-12-3-2-6-17-10-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one?
1-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 62620103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).