2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate

C16H14ClN3O2 — CID 89494350

IUPAC2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate
SMILESCC(=O)OCCc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)22-8-7-12-3-2-4-13(9-12)14-10-18-16-6-5-15(17)19-20(14)16/h2-6,9-10H,7-8H2,1H3
InChIKeyNJXVUZDFSKFPSL-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.16
Rot. Bonds4

About 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate

2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate (PubChem CID 89494350) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate
PubChem CID89494350
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate
SMILESCC(=O)OCCc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)22-8-7-12-3-2-4-13(9-12)14-10-18-16-6-5-15(17)19-20(14)16/h2-6,9-10H,7-8H2,1H3
InChIKeyNJXVUZDFSKFPSL-UHFFFAOYSA-N
XLogP3.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate?
The IUPAC name of 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate (CID 89494350) is 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate.
What is the SMILES notation for 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate?
The canonical SMILES for 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate is CC(=O)OCCc1cccc(-c2cnc3ccc(Cl)nn23)c1.
What is the InChIKey of 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate?
The InChIKey is NJXVUZDFSKFPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11(21)22-8-7-12-3-2-4-13(9-12)14-10-18-16-6-5-15(17)19-20(14)16/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate?
2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate has a molecular weight of 315.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate is sourced from PubChem (CID 89494350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).