6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one

C11H8ClFN2O2 — CID 106514718

IUPAC6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCOc1ccc(Cl)cc1-c1[nH]c(=O)ncc1F
InChIInChI=1S/C11H8ClFN2O2/c1-17-9-3-2-6(12)4-7(9)10-8(13)5-14-11(16)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyBPQDXTNUIXMRKA-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.24
Rot. Bonds2

About 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one

6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106514718) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
PubChem CID106514718
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESCOc1ccc(Cl)cc1-c1[nH]c(=O)ncc1F
InChIInChI=1S/C11H8ClFN2O2/c1-17-9-3-2-6(12)4-7(9)10-8(13)5-14-11(16)15-10/h2-5H,1H3,(H,14,15,16)
InChIKeyBPQDXTNUIXMRKA-UHFFFAOYSA-N
XLogP2.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one (CID 106514718) is 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one is COc1ccc(Cl)cc1-c1[nH]c(=O)ncc1F.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is BPQDXTNUIXMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-9-3-2-6(12)4-7(9)10-8(13)5-14-11(16)15-10/h2-5H,1H3,(H,14,15,16).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one?
6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 254.65 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106514718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).