1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone

C12H9FN2O2S — CID 43654788

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)c1cc(F)ccc1O
InChIInChI=1S/C12H9FN2O2S/c13-8-2-3-10(16)9(6-8)11(17)7-18-12-14-4-1-5-15-12/h1-6,16H,7H2
InChIKeyKBOMNSVEPKKECA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.30
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone (PubChem CID 43654788) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
PubChem CID43654788
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)c1cc(F)ccc1O
InChIInChI=1S/C12H9FN2O2S/c13-8-2-3-10(16)9(6-8)11(17)7-18-12-14-4-1-5-15-12/h1-6,16H,7H2
InChIKeyKBOMNSVEPKKECA-UHFFFAOYSA-N
XLogP2.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone (CID 43654788) is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone is O=C(CSc1ncccn1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone?
The InChIKey is KBOMNSVEPKKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-8-2-3-10(16)9(6-8)11(17)7-18-12-14-4-1-5-15-12/h1-6,16H,7H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone has a molecular weight of 264.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrimidin-2-ylsulfanylethanone is sourced from PubChem (CID 43654788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).