1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone

C12H9FN2O — CID 90250687

IUPAC1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1-c1ncccn1
InChIInChI=1S/C12H9FN2O/c1-8(16)11-7-9(13)3-4-10(11)12-14-5-2-6-15-12/h2-7H,1H3
InChIKeyJSKFNAUEPUCCRJ-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone

1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone (PubChem CID 90250687) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
PubChem CID90250687
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1-c1ncccn1
InChIInChI=1S/C12H9FN2O/c1-8(16)11-7-9(13)3-4-10(11)12-14-5-2-6-15-12/h2-7H,1H3
InChIKeyJSKFNAUEPUCCRJ-UHFFFAOYSA-N
XLogP2.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15443
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
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CID 4436165
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
3-fluoro-N-(pyrimidin-2-yl)benzamide
CID 821559
1-(4-Fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)butan-1-one
CID 131695
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-one
CID 10827788
3-fluoro-2-methyl-N-pyridin-2-ylbenzamide
CID 118707931
Anti-infective agent 3
CID 162668092
benzamide, N-2-pyrimidinyl-
CID 638481
2-(5-Pyrimidinyl)benzaldehyde
CID 3807860

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone (CID 90250687) is 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone is CC(=O)c1cc(F)ccc1-c1ncccn1.
What is the InChIKey of 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone?
The InChIKey is JSKFNAUEPUCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-8(16)11-7-9(13)3-4-10(11)12-14-5-2-6-15-12/h2-7H,1H3.
What are the key properties of 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone?
1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone has a molecular weight of 216.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone is sourced from PubChem (CID 90250687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).