6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one

C7H8ClIN2O3 — CID 114583872

IUPAC6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8ClIN2O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyQEPAXTZQQDRVNY-UHFFFAOYSA-N
MW330.51 g/mol
LogP-0.15
Rot. Bonds3

About 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one

6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one (PubChem CID 114583872) has the molecular formula C7H8ClIN2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one
PubChem CID114583872
Molecular FormulaC7H8ClIN2O3
Molecular Weight330.51 g/mol
Exact Mass329.93
IUPAC Name6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8ClIN2O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyQEPAXTZQQDRVNY-UHFFFAOYSA-N
XLogP-0.15
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one (CID 114583872) is 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CC(O)CO.
What is the InChIKey of 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one?
The InChIKey is QEPAXTZQQDRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIN2O3/c8-6-5(9)7(14)11(3-10-6)1-4(13)2-12/h3-4,12-13H,1-2H2.
What are the key properties of 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one?
6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one has a molecular weight of 330.51 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114583872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).