5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

C15H10ClN3O2 — CID 79431642

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O2/c16-10-5-3-4-9(8-10)12-14(20)18-13(19-15(12)21)11-6-1-2-7-17-11/h1-8H,(H2,18,19,20,21)
InChIKeyQZPAXVHAJBLPNO-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.86
Rot. Bonds2

About 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 79431642) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID79431642
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O2/c16-10-5-3-4-9(8-10)12-14(20)18-13(19-15(12)21)11-6-1-2-7-17-11/h1-8H,(H2,18,19,20,21)
InChIKeyQZPAXVHAJBLPNO-UHFFFAOYSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 79431642) is 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccn2)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is QZPAXVHAJBLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-10-5-3-4-9(8-10)12-14(20)18-13(19-15(12)21)11-6-1-2-7-17-11/h1-8H,(H2,18,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 299.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).