6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde

C14H10BrN3O2 — CID 116854403

IUPAC6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1ccc2ncc(C=O)n2n1
InChIInChI=1S/C14H10BrN3O2/c1-20-13-4-2-9(15)6-11(13)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-8H,1H3
InChIKeyPCIAMCWZXWPMKV-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.98
Rot. Bonds3

About 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde

6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde (PubChem CID 116854403) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde
PubChem CID116854403
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1ccc2ncc(C=O)n2n1
InChIInChI=1S/C14H10BrN3O2/c1-20-13-4-2-9(15)6-11(13)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-8H,1H3
InChIKeyPCIAMCWZXWPMKV-UHFFFAOYSA-N
XLogP2.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854679
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
CID 82134718
4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 27211250
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
1-[[3-(5-bromo-2-methoxyphenyl)pyrazol-1-yl]-chloromethoxy]ethyl-trimethylsilane
CID 141143114
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde?
The IUPAC name of 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde (CID 116854403) is 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde is COc1ccc(Br)cc1-c1ccc2ncc(C=O)n2n1.
What is the InChIKey of 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde?
The InChIKey is PCIAMCWZXWPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-20-13-4-2-9(15)6-11(13)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-8H,1H3.
What are the key properties of 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde?
6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde has a molecular weight of 332.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde is sourced from PubChem (CID 116854403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).