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

C15H11ClF2N4O4 — CID 171552858

IUPAC6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2ccc(Oc3ncc(Cl)cc3OCC(F)F)nn12
InChIInChI=1S/C15H11ClF2N4O4/c1-7-13(15(23)24)20-11-2-3-12(21-22(7)11)26-14-9(25-6-10(17)18)4-8(16)5-19-14/h2-5,10H,6H2,1H3,(H,23,24)
InChIKeyPTYZCCYUSZAXMO-UHFFFAOYSA-N
MW384.73 g/mol
LogP3.22
Rot. Bonds6

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

6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 171552858) has the molecular formula C15H11ClF2N4O4 and a molecular weight of 384.73 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID171552858
Molecular FormulaC15H11ClF2N4O4
Molecular Weight384.73 g/mol
Exact Mass384.04
IUPAC Name6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2ccc(Oc3ncc(Cl)cc3OCC(F)F)nn12
InChIInChI=1S/C15H11ClF2N4O4/c1-7-13(15(23)24)20-11-2-3-12(21-22(7)11)26-14-9(25-6-10(17)18)4-8(16)5-19-14/h2-5,10H,6H2,1H3,(H,23,24)
InChIKeyPTYZCCYUSZAXMO-UHFFFAOYSA-N
XLogP3.22
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid (CID 171552858) is 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid is Cc1c(C(=O)O)nc2ccc(Oc3ncc(Cl)cc3OCC(F)F)nn12.
What is the InChIKey of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is PTYZCCYUSZAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O4/c1-7-13(15(23)24)20-11-2-3-12(21-22(7)11)26-14-9(25-6-10(17)18)4-8(16)5-19-14/h2-5,10H,6H2,1H3,(H,23,24).
What are the key properties of 6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 384.73 g/mol, XLogP of 3.22, 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]-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 171552858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).