6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one

C12H7ClFN3O2 — CID 23018326

IUPAC6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESO=c1[nH]c2nccn2c(O)c1-c1c(F)cccc1Cl
InChIInChI=1S/C12H7ClFN3O2/c13-6-2-1-3-7(14)8(6)9-10(18)16-12-15-4-5-17(12)11(9)19/h1-5,19H,(H,15,16,18)
InChIKeyWHGHWIASESWFED-UHFFFAOYSA-N
MW279.66 g/mol
LogP2.19
Rot. Bonds1

About 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one

6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 23018326) has the molecular formula C12H7ClFN3O2 and a molecular weight of 279.66 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID23018326
Molecular FormulaC12H7ClFN3O2
Molecular Weight279.66 g/mol
Exact Mass279.02
IUPAC Name6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESO=c1[nH]c2nccn2c(O)c1-c1c(F)cccc1Cl
InChIInChI=1S/C12H7ClFN3O2/c13-6-2-1-3-7(14)8(6)9-10(18)16-12-15-4-5-17(12)11(9)19/h1-5,19H,(H,15,16,18)
InChIKeyWHGHWIASESWFED-UHFFFAOYSA-N
XLogP2.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one (CID 23018326) is 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one is O=c1[nH]c2nccn2c(O)c1-c1c(F)cccc1Cl.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is WHGHWIASESWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2/c13-6-2-1-3-7(14)8(6)9-10(18)16-12-15-4-5-17(12)11(9)19/h1-5,19H,(H,15,16,18).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 279.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 23018326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).