[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol

C13H8F3N3O — CID 67502440

IUPAC[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESOCc1cnc2ccc(-c3cc(F)c(F)c(F)c3)nn12
InChIInChI=1S/C13H8F3N3O/c14-9-3-7(4-10(15)13(9)16)11-1-2-12-17-5-8(6-20)19(12)18-11/h1-5,20H,6H2
InChIKeyQUNWLRBNIHLUGV-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.31
Rot. Bonds2

About [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol

[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 67502440) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID67502440
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESOCc1cnc2ccc(-c3cc(F)c(F)c(F)c3)nn12
InChIInChI=1S/C13H8F3N3O/c14-9-3-7(4-10(15)13(9)16)11-1-2-12-17-5-8(6-20)19(12)18-11/h1-5,20H,6H2
InChIKeyQUNWLRBNIHLUGV-UHFFFAOYSA-N
XLogP2.31
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol (CID 67502440) is [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol is OCc1cnc2ccc(-c3cc(F)c(F)c(F)c3)nn12.
What is the InChIKey of [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is QUNWLRBNIHLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-9-3-7(4-10(15)13(9)16)11-1-2-12-17-5-8(6-20)19(12)18-11/h1-5,20H,6H2.
What are the key properties of [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 279.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 67502440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).