6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine

C23H15Cl2N7 — CID 167431604

IUPAC6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc2ncc(-c3ccccc3)n2n1.Clc1ccc2ncc(-c3cccnc3)n2n1
InChIInChI=1S/C12H8ClN3.C11H7ClN4/c13-11-6-7-12-14-8-10(16(12)15-11)9-4-2-1-3-5-9;12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-8H;1-7H
InChIKeyUSVSNPGNXFORKO-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.49
Rot. Bonds2

About 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine

6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine (PubChem CID 167431604) has the molecular formula C23H15Cl2N7 and a molecular weight of 460.33 g/mol. Its IUPAC name is 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
PubChem CID167431604
Molecular FormulaC23H15Cl2N7
Molecular Weight460.33 g/mol
Exact Mass459.08
IUPAC Name6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc2ncc(-c3ccccc3)n2n1.Clc1ccc2ncc(-c3cccnc3)n2n1
InChIInChI=1S/C12H8ClN3.C11H7ClN4/c13-11-6-7-12-14-8-10(16(12)15-11)9-4-2-1-3-5-9;12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-8H;1-7H
InChIKeyUSVSNPGNXFORKO-UHFFFAOYSA-N
XLogP5.49
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine (CID 167431604) is 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine is Clc1ccc2ncc(-c3ccccc3)n2n1.Clc1ccc2ncc(-c3cccnc3)n2n1.
What is the InChIKey of 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is USVSNPGNXFORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3.C11H7ClN4/c13-11-6-7-12-14-8-10(16(12)15-11)9-4-2-1-3-5-9;12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-8H;1-7H.
What are the key properties of 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine?
6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 460.33 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 167431604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).