2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide

C5H4F3IN2O — CID 162568119

IUPAC2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide
SMILESI.O=c1ccnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H3F3N2O.HI/c6-5(7,8)4-9-2-1-3(11)10-4;/h1-2H,(H,9,10,11);1H
InChIKeyUSAJPHUUWLQAKI-UHFFFAOYSA-N
MW292.00 g/mol
LogP1.41
Rot. Bonds

About 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide

2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide (PubChem CID 162568119) has the molecular formula C5H4F3IN2O and a molecular weight of 292.00 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide
PubChem CID162568119
Molecular FormulaC5H4F3IN2O
Molecular Weight292.00 g/mol
Exact Mass291.93
IUPAC Name2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide
SMILESI.O=c1ccnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H3F3N2O.HI/c6-5(7,8)4-9-2-1-3(11)10-4;/h1-2H,(H,9,10,11);1H
InChIKeyUSAJPHUUWLQAKI-UHFFFAOYSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide?
The IUPAC name of 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide (CID 162568119) is 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide is I.O=c1ccnc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide?
The InChIKey is USAJPHUUWLQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O.HI/c6-5(7,8)4-9-2-1-3(11)10-4;/h1-2H,(H,9,10,11);1H.
What are the key properties of 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide?
2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide has a molecular weight of 292.00 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyrimidin-6-one;hydroiodide is sourced from PubChem (CID 162568119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).