[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

C16H13ClF3N3O — CID 121426294

IUPAC[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(Cc2c(CO)nc3ccc(Cl)nn23)cccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O/c1-9-10(3-2-4-11(9)16(18,19)20)7-13-12(8-24)21-15-6-5-14(17)22-23(13)15/h2-6,24H,7-8H2,1H3
InChIKeyKPXMUFNKMSFIHM-UHFFFAOYSA-N
MW355.75 g/mol
LogP3.79
Rot. Bonds3

About [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 121426294) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID121426294
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(Cc2c(CO)nc3ccc(Cl)nn23)cccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O/c1-9-10(3-2-4-11(9)16(18,19)20)7-13-12(8-24)21-15-6-5-14(17)22-23(13)15/h2-6,24H,7-8H2,1H3
InChIKeyKPXMUFNKMSFIHM-UHFFFAOYSA-N
XLogP3.79
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (CID 121426294) is [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is Cc1c(Cc2c(CO)nc3ccc(Cl)nn23)cccc1C(F)(F)F.
What is the InChIKey of [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is KPXMUFNKMSFIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c1-9-10(3-2-4-11(9)16(18,19)20)7-13-12(8-24)21-15-6-5-14(17)22-23(13)15/h2-6,24H,7-8H2,1H3.
What are the key properties of [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
[6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 355.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 121426294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).