3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate

C13H7ClN3O2- — CID 140700938

IUPAC3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESO=C([O-])c1nc2cccnn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN3O2/c14-9-5-3-8(4-6-9)12-11(13(18)19)16-10-2-1-7-15-17(10)12/h1-7H,(H,18,19)/p-1
InChIKeyPOUQXTNCSRFVOD-UHFFFAOYSA-M
MW272.67 g/mol
LogP1.41
Rot. Bonds2

About 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate

3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 140700938) has the molecular formula C13H7ClN3O2- and a molecular weight of 272.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Name3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID140700938
Molecular FormulaC13H7ClN3O2-
Molecular Weight272.67 g/mol
Exact Mass272.02
IUPAC Name3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESO=C([O-])c1nc2cccnn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN3O2/c14-9-5-3-8(4-6-9)12-11(13(18)19)16-10-2-1-7-15-17(10)12/h1-7H,(H,18,19)/p-1
InChIKeyPOUQXTNCSRFVOD-UHFFFAOYSA-M
XLogP1.41
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.67
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate (CID 140700938) is 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate is O=C([O-])c1nc2cccnn2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is POUQXTNCSRFVOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-5-3-8(4-6-9)12-11(13(18)19)16-10-2-1-7-15-17(10)12/h1-7H,(H,18,19)/p-1.
What are the key properties of 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?
3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 272.67 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 140700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).