[5-(trifluoromethyl)pyrimidin-2-yl]methanol

C6H5F3N2O — CID 53401471

IUPAC[5-(trifluoromethyl)pyrimidin-2-yl]methanol
SMILESOCc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-1-10-5(3-12)11-2-4/h1-2,12H,3H2
InChIKeyIVULZHBDMNDXCU-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.99
Rot. Bonds1

About [5-(trifluoromethyl)pyrimidin-2-yl]methanol

[5-(trifluoromethyl)pyrimidin-2-yl]methanol (PubChem CID 53401471) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is [5-(trifluoromethyl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)pyrimidin-2-yl]methanol
PubChem CID53401471
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name[5-(trifluoromethyl)pyrimidin-2-yl]methanol
SMILESOCc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-1-10-5(3-12)11-2-4/h1-2,12H,3H2
InChIKeyIVULZHBDMNDXCU-UHFFFAOYSA-N
XLogP0.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)pyrimidin-2-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)pyrimidin-2-yl]methanol (CID 53401471) is [5-(trifluoromethyl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)pyrimidin-2-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)pyrimidin-2-yl]methanol is OCc1ncc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)pyrimidin-2-yl]methanol?
The InChIKey is IVULZHBDMNDXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-10-5(3-12)11-2-4/h1-2,12H,3H2.
What are the key properties of [5-(trifluoromethyl)pyrimidin-2-yl]methanol?
[5-(trifluoromethyl)pyrimidin-2-yl]methanol has a molecular weight of 178.11 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 53401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).