5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione

C11H8ClN3O3 — CID 2763787

IUPAC5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2cccnc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H8ClN3O3/c1-6(16)7-5-15(11(18)14-10(7)17)8-3-2-4-13-9(8)12/h2-5H,1H3,(H,14,17,18)
InChIKeyMIISKJZDVVSZQX-UHFFFAOYSA-N
MW265.66 g/mol
LogP0.78
Rot. Bonds2

About 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione

5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione (PubChem CID 2763787) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione
PubChem CID2763787
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2cccnc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H8ClN3O3/c1-6(16)7-5-15(11(18)14-10(7)17)8-3-2-4-13-9(8)12/h2-5H,1H3,(H,14,17,18)
InChIKeyMIISKJZDVVSZQX-UHFFFAOYSA-N
XLogP0.78
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

dimethyl 1-(2-chloro-3-pyridinyl)-4-oxopyridine-3,5-dicarboxylate
CID 5303504
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
2,4-dioxo-1-quinolin-5-ylpyrimidine-5-carbonitrile
CID 79876422
5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 56683947
5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione
CID 3778177
1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
CID 83813700
1-[2-(difluoromethoxy)phenyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79873749
5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione
CID 3369393
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione (CID 2763787) is 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione is CC(=O)c1cn(-c2cccnc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione?
The InChIKey is MIISKJZDVVSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-6(16)7-5-15(11(18)14-10(7)17)8-3-2-4-13-9(8)12/h2-5H,1H3,(H,14,17,18).
What are the key properties of 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione?
5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione has a molecular weight of 265.66 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2-chloro-3-pyridinyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2763787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).