6-(2,3-difluorophenyl)-1H-pyrimidin-2-one

C10H6F2N2O — CID 23297047

IUPAC6-(2,3-difluorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C10H6F2N2O/c11-7-3-1-2-6(9(7)12)8-4-5-13-10(15)14-8/h1-5H,(H,13,14,15)
InChIKeyYSDAZMWIGMATIO-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.72
Rot. Bonds1

About 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one

6-(2,3-difluorophenyl)-1H-pyrimidin-2-one (PubChem CID 23297047) has the molecular formula C10H6F2N2O and a molecular weight of 208.17 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-1H-pyrimidin-2-one
PubChem CID23297047
Molecular FormulaC10H6F2N2O
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name6-(2,3-difluorophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C10H6F2N2O/c11-7-3-1-2-6(9(7)12)8-4-5-13-10(15)14-8/h1-5H,(H,13,14,15)
InChIKeyYSDAZMWIGMATIO-UHFFFAOYSA-N
XLogP1.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one (CID 23297047) is 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one is O=c1nccc(-c2cccc(F)c2F)[nH]1.
What is the InChIKey of 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one?
The InChIKey is YSDAZMWIGMATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O/c11-7-3-1-2-6(9(7)12)8-4-5-13-10(15)14-8/h1-5H,(H,13,14,15).
What are the key properties of 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one?
6-(2,3-difluorophenyl)-1H-pyrimidin-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 23297047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).