ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate

C11H10ClN3O2 — CID 169480507

IUPACethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)6-3-8-7-13-10-5-4-9(12)14-15(8)10/h3-7H,2H2,1H3
InChIKeyJGBKDJCORKDVRX-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.96
Rot. Bonds3

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

ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate (PubChem CID 169480507) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate
PubChem CID169480507
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Nameethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)6-3-8-7-13-10-5-4-9(12)14-15(8)10/h3-7H,2H2,1H3
InChIKeyJGBKDJCORKDVRX-UHFFFAOYSA-N
XLogP1.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
CID 169481959
N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
CID 169465667
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile
CID 169483642
ethyl (E)-3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 140543607
ethyl (E)-3-(4-chloroquinolin-7-yl)prop-2-enoate
CID 169268161
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
ethyl (E)-3-(1-ethyl-3-phenylmethoxypyrazol-5-yl)prop-2-enoate
CID 86618830
ethyl (E)-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)prop-2-enoate
CID 83764574
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
ethyl (E)-3-(5-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 122163598
ethyl (E)-3-[3-butoxy-1-[(2,4-dichlorophenyl)methyl]pyrazol-5-yl]prop-2-enoate
CID 68551908
ethyl 3-(5-chloro-3-pyridinyl)prop-2-enoate
CID 72747217

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate (CID 169480507) is ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate is CCOC(=O)C=Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate?
The InChIKey is JGBKDJCORKDVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-17-11(16)6-3-8-7-13-10-5-4-9(12)14-15(8)10/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate?
ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate has a molecular weight of 251.67 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enoate is sourced from PubChem (CID 169480507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).