5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C11H6F3IN2O2 — CID 66313546

IUPAC5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2OC(F)(F)F)ncc1I
InChIInChI=1S/C11H6F3IN2O2/c12-11(13,14)19-8-4-2-1-3-6(8)9-16-5-7(15)10(18)17-9/h1-5H,(H,16,17,18)
InChIKeyUESABZZMZJNYHM-UHFFFAOYSA-N
MW382.08 g/mol
LogP2.94
Rot. Bonds2

About 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 66313546) has the molecular formula C11H6F3IN2O2 and a molecular weight of 382.08 g/mol. Its IUPAC name is 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID66313546
Molecular FormulaC11H6F3IN2O2
Molecular Weight382.08 g/mol
Exact Mass381.94
IUPAC Name5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2OC(F)(F)F)ncc1I
InChIInChI=1S/C11H6F3IN2O2/c12-11(13,14)19-8-4-2-1-3-6(8)9-16-5-7(15)10(18)17-9/h1-5H,(H,16,17,18)
InChIKeyUESABZZMZJNYHM-UHFFFAOYSA-N
XLogP2.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 66313546) is 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2OC(F)(F)F)ncc1I.
What is the InChIKey of 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is UESABZZMZJNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3IN2O2/c12-11(13,14)19-8-4-2-1-3-6(8)9-16-5-7(15)10(18)17-9/h1-5H,(H,16,17,18).
What are the key properties of 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 382.08 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 66313546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).