[6-(trifluoromethyl)pyridazin-3-yl]methanol

C6H5F3N2O — CID 138110427

IUPAC[6-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESOCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-2,12H,3H2
InChIKeyXBLYNHFICSZKSK-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.99
Rot. Bonds1

About [6-(trifluoromethyl)pyridazin-3-yl]methanol

[6-(trifluoromethyl)pyridazin-3-yl]methanol (PubChem CID 138110427) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is [6-(trifluoromethyl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(trifluoromethyl)pyridazin-3-yl]methanol
PubChem CID138110427
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name[6-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESOCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-2,12H,3H2
InChIKeyXBLYNHFICSZKSK-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 [6-(trifluoromethyl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(trifluoromethyl)pyridazin-3-yl]methanol (CID 138110427) is [6-(trifluoromethyl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(trifluoromethyl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(trifluoromethyl)pyridazin-3-yl]methanol is OCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of [6-(trifluoromethyl)pyridazin-3-yl]methanol?
The InChIKey is XBLYNHFICSZKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-2,12H,3H2.
What are the key properties of [6-(trifluoromethyl)pyridazin-3-yl]methanol?
[6-(trifluoromethyl)pyridazin-3-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 [6-(trifluoromethyl)pyridazin-3-yl]methanol is sourced from PubChem (CID 138110427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).