5-(3-chlorophenoxy)-1H-pyrimidin-2-one

C10H7ClN2O2 — CID 12661829

IUPAC5-(3-chlorophenoxy)-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(4-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14)
InChIKeyOQXKUNREZFZTMU-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 5-(3-chlorophenoxy)-1H-pyrimidin-2-one

5-(3-chlorophenoxy)-1H-pyrimidin-2-one (PubChem CID 12661829) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-1H-pyrimidin-2-one
PubChem CID12661829
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-(3-chlorophenoxy)-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(4-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14)
InChIKeyOQXKUNREZFZTMU-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-chlorophenoxy)-1H-pyrimidin-2-one (CID 12661829) is 5-(3-chlorophenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-chlorophenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-chlorophenoxy)-1H-pyrimidin-2-one is O=c1ncc(Oc2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 5-(3-chlorophenoxy)-1H-pyrimidin-2-one?
The InChIKey is OQXKUNREZFZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(4-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14).
What are the key properties of 5-(3-chlorophenoxy)-1H-pyrimidin-2-one?
5-(3-chlorophenoxy)-1H-pyrimidin-2-one has a molecular weight of 222.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 12661829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).