5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H7ClN2O2 — CID 3497126

IUPAC5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChIKeyAZCIUNXJXVOJGZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.80
Rot. Bonds1

About 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 3497126) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID3497126
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChIKeyAZCIUNXJXVOJGZ-UHFFFAOYSA-N
XLogP1.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 3497126) is 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AZCIUNXJXVOJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15).
What are the key properties of 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 222.63 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 3497126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).