ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate

C16H14ClN3O2 — CID 154659114

IUPACethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H14ClN3O2/c1-2-22-16(21)9-13-10-20-15(18-13)8-7-14(19-20)11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyPRYRHQYTLVPISR-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.16
Rot. Bonds4

About ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate

ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate (PubChem CID 154659114) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
PubChem CID154659114
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Nameethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H14ClN3O2/c1-2-22-16(21)9-13-10-20-15(18-13)8-7-14(19-20)11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyPRYRHQYTLVPISR-UHFFFAOYSA-N
XLogP3.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659111
ethyl 2-[6-(4-nitrophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659110
ethyl 2-[6-[[3-(2-hydroxyethyl)cyclobutyl]amino]imidazo[1,2-b]pyridazin-2-yl]acetate
CID 166306790
ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 58791720
2-(4-chlorophenyl)-6-ethoxyimidazo[1,2-b]pyridazine
CID 10659888
ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
CID 13426063
N-ethyl-N-[(6-phenylimidazo[1,2-b]pyridazin-2-yl)methyl]ethanamine
CID 14406868
ethyl 2-[4-(4-chlorophenyl)-6-(difluoromethyl)pyrimidin-2-yl]sulfanylacetate
CID 19615536
2-(6-aminoimidazo[1,2-b]pyridazin-2-yl)acetic acid
CID 84663801
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
CID 139488298
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetate
CID 10513068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate (CID 154659114) is ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate is CCOC(=O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
The InChIKey is PRYRHQYTLVPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-2-22-16(21)9-13-10-20-15(18-13)8-7-14(19-20)11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate?
ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate has a molecular weight of 315.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate is sourced from PubChem (CID 154659114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).