6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione

C9H6ClN3O2 — CID 23648523

IUPAC6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H6ClN3O2/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7/h1-4H,(H2,12,13,14,15)
InChIKeyZQUCTGXWUUIFQF-UHFFFAOYSA-N
MW223.62 g/mol
LogP0.78
Rot. Bonds1

About 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione

6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 23648523) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione
PubChem CID23648523
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H6ClN3O2/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7/h1-4H,(H2,12,13,14,15)
InChIKeyZQUCTGXWUUIFQF-UHFFFAOYSA-N
XLogP0.78
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione (CID 23648523) is 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(-c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ZQUCTGXWUUIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7/h1-4H,(H2,12,13,14,15).
What are the key properties of 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione?
6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 223.62 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-pyridin-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).