1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone

C13H10FNO — CID 82541383

IUPAC1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C13H10FNO/c1-9(16)10-4-5-13(14)12(7-10)11-3-2-6-15-8-11/h2-8H,1H3
InChIKeySMYWGBNXEUNZJE-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone

1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone (PubChem CID 82541383) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
PubChem CID82541383
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C13H10FNO/c1-9(16)10-4-5-13(14)12(7-10)11-3-2-6-15-8-11/h2-8H,1H3
InChIKeySMYWGBNXEUNZJE-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
CID 172651092
1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
CID 122358564
3-(2-fluoro-4-iodo-5-pyridin-3-ylphenyl)pyridine
CID 46316515
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
CID 177459934

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone (CID 82541383) is 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone is CC(=O)c1ccc(F)c(-c2cccnc2)c1.
What is the InChIKey of 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone?
The InChIKey is SMYWGBNXEUNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9(16)10-4-5-13(14)12(7-10)11-3-2-6-15-8-11/h2-8H,1H3.
What are the key properties of 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone?
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone has a molecular weight of 215.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 82541383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).