1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione

C7H8ClFN2O3 — CID 3869192

IUPAC1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)CCl)cc1F
InChIInChI=1S/C7H8ClFN2O3/c8-1-4(12)2-11-3-5(9)6(13)10-7(11)14/h3-4,12H,1-2H2,(H,10,13,14)
InChIKeyKZXKYMPJEHOXBE-UHFFFAOYSA-N
MW222.60 g/mol
LogP-0.72
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione

1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 3869192) has the molecular formula C7H8ClFN2O3 and a molecular weight of 222.60 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID3869192
Molecular FormulaC7H8ClFN2O3
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)CCl)cc1F
InChIInChI=1S/C7H8ClFN2O3/c8-1-4(12)2-11-3-5(9)6(13)10-7(11)14/h3-4,12H,1-2H2,(H,10,13,14)
InChIKeyKZXKYMPJEHOXBE-UHFFFAOYSA-N
XLogP-0.72
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione (CID 3869192) is 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(O)CCl)cc1F.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is KZXKYMPJEHOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O3/c8-1-4(12)2-11-3-5(9)6(13)10-7(11)14/h3-4,12H,1-2H2,(H,10,13,14).
What are the key properties of 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione?
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 222.60 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 3869192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).