2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C10H5ClF2N2O2 — CID 58134354

IUPAC2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(F)c2)nc(O)c1F
InChIInChI=1S/C10H5ClF2N2O2/c11-5-2-1-4(3-6(5)12)8-14-9(16)7(13)10(17)15-8/h1-3H,(H2,14,15,16,17)
InChIKeyAHTZPPMYJZFZQK-UHFFFAOYSA-N
MW258.61 g/mol
LogP2.07
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 58134354) has the molecular formula C10H5ClF2N2O2 and a molecular weight of 258.61 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID58134354
Molecular FormulaC10H5ClF2N2O2
Molecular Weight258.61 g/mol
Exact Mass258.00
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(F)c2)nc(O)c1F
InChIInChI=1S/C10H5ClF2N2O2/c11-5-2-1-4(3-6(5)12)8-14-9(16)7(13)10(17)15-8/h1-3H,(H2,14,15,16,17)
InChIKeyAHTZPPMYJZFZQK-UHFFFAOYSA-N
XLogP2.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 58134354) is 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Cl)c(F)c2)nc(O)c1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AHTZPPMYJZFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O2/c11-5-2-1-4(3-6(5)12)8-14-9(16)7(13)10(17)15-8/h1-3H,(H2,14,15,16,17).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 258.61 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 58134354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).