3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine

C15H9BrCl2N6 — CID 22335115

IUPAC3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccnc(-c2nccn2Cc2nc3ccc(Cl)nn3c2Br)c1
InChIInChI=1S/C15H9BrCl2N6/c16-14-11(21-13-2-1-12(18)22-24(13)14)8-23-6-5-20-15(23)10-7-9(17)3-4-19-10/h1-7H,8H2
InChIKeyKBFKDRPUGKRYAB-UHFFFAOYSA-N
MW424.09 g/mol
LogP4.11
Rot. Bonds3

About 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine

3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 22335115) has the molecular formula C15H9BrCl2N6 and a molecular weight of 424.09 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine
PubChem CID22335115
Molecular FormulaC15H9BrCl2N6
Molecular Weight424.09 g/mol
Exact Mass421.94
IUPAC Name3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccnc(-c2nccn2Cc2nc3ccc(Cl)nn3c2Br)c1
InChIInChI=1S/C15H9BrCl2N6/c16-14-11(21-13-2-1-12(18)22-24(13)14)8-23-6-5-20-15(23)10-7-9(17)3-4-19-10/h1-7H,8H2
InChIKeyKBFKDRPUGKRYAB-UHFFFAOYSA-N
XLogP4.11
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine (CID 22335115) is 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine is Clc1ccnc(-c2nccn2Cc2nc3ccc(Cl)nn3c2Br)c1.
What is the InChIKey of 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is KBFKDRPUGKRYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N6/c16-14-11(21-13-2-1-12(18)22-24(13)14)8-23-6-5-20-15(23)10-7-9(17)3-4-19-10/h1-7H,8H2.
What are the key properties of 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine?
3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 424.09 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 22335115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).