5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one

C9H5Cl2N3O — CID 172591540

IUPAC5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(Cl)ncc2Cl)c[nH]1
InChIInChI=1S/C9H5Cl2N3O/c10-6-4-13-9(11)14-8(6)5-1-2-7(15)12-3-5/h1-4H,(H,12,15)
InChIKeyNCLKRZNOAOGLCT-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.14
Rot. Bonds1

About 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one

5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one (PubChem CID 172591540) has the molecular formula C9H5Cl2N3O and a molecular weight of 242.06 g/mol. Its IUPAC name is 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one
PubChem CID172591540
Molecular FormulaC9H5Cl2N3O
Molecular Weight242.06 g/mol
Exact Mass240.98
IUPAC Name5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(Cl)ncc2Cl)c[nH]1
InChIInChI=1S/C9H5Cl2N3O/c10-6-4-13-9(11)14-8(6)5-1-2-7(15)12-3-5/h1-4H,(H,12,15)
InChIKeyNCLKRZNOAOGLCT-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one (CID 172591540) is 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one is O=c1ccc(-c2nc(Cl)ncc2Cl)c[nH]1.
What is the InChIKey of 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one?
The InChIKey is NCLKRZNOAOGLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O/c10-6-4-13-9(11)14-8(6)5-1-2-7(15)12-3-5/h1-4H,(H,12,15).
What are the key properties of 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one?
5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one has a molecular weight of 242.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 172591540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).