3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine

C14H11BrClN3 — CID 143597860

IUPAC3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine
SMILESClc1cccc(CCc2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C14H11BrClN3/c15-13-9-17-14-7-6-12(18-19(13)14)5-4-10-2-1-3-11(16)8-10/h1-3,6-9H,4-5H2
InChIKeyMTVUSSNRLHBOOJ-UHFFFAOYSA-N
MW336.62 g/mol
LogP3.93
Rot. Bonds3

About 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine

3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 143597860) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID143597860
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine
SMILESClc1cccc(CCc2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C14H11BrClN3/c15-13-9-17-14-7-6-12(18-19(13)14)5-4-10-2-1-3-11(16)8-10/h1-3,6-9H,4-5H2
InChIKeyMTVUSSNRLHBOOJ-UHFFFAOYSA-N
XLogP3.93
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine
CID 143597822
3-(3-fluorophenyl)-6-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine
CID 173083961
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374
6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 143597765
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 23026078
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
2-(3-bromoimidazo[1,2-b]pyridazin-6-yl)oxyethanamine
CID 130394817
3-bromo-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 82388154

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine (CID 143597860) is 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine is Clc1cccc(CCc2ccc3ncc(Br)n3n2)c1.
What is the InChIKey of 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is MTVUSSNRLHBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c15-13-9-17-14-7-6-12(18-19(13)14)5-4-10-2-1-3-11(16)8-10/h1-3,6-9H,4-5H2.
What are the key properties of 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine?
3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 336.62 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143597860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).