6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid

C14H9ClF2N4O4 — CID 171552937

IUPAC6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)ccc2n1
InChIInChI=1S/C14H9ClF2N4O4/c15-7-3-9(24-6-10(16)17)13(18-4-7)25-12-2-1-11-19-8(14(22)23)5-21(11)20-12/h1-5,10H,6H2,(H,22,23)
InChIKeyYHBFNWDSTJUALD-UHFFFAOYSA-N
MW370.70 g/mol
LogP2.91
Rot. Bonds6

About 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid

6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 171552937) has the molecular formula C14H9ClF2N4O4 and a molecular weight of 370.70 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID171552937
Molecular FormulaC14H9ClF2N4O4
Molecular Weight370.70 g/mol
Exact Mass370.03
IUPAC Name6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)ccc2n1
InChIInChI=1S/C14H9ClF2N4O4/c15-7-3-9(24-6-10(16)17)13(18-4-7)25-12-2-1-11-19-8(14(22)23)5-21(11)20-12/h1-5,10H,6H2,(H,22,23)
InChIKeyYHBFNWDSTJUALD-UHFFFAOYSA-N
XLogP2.91
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 171552937) is 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid is O=C(O)c1cn2nc(Oc3ncc(Cl)cc3OCC(F)F)ccc2n1.
What is the InChIKey of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is YHBFNWDSTJUALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O4/c15-7-3-9(24-6-10(16)17)13(18-4-7)25-12-2-1-11-19-8(14(22)23)5-21(11)20-12/h1-5,10H,6H2,(H,22,23).
What are the key properties of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 370.70 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 171552937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).