2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid

C14H10ClN3O2 — CID 154659102

IUPAC2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)
InChIKeyCYEABSUHPBMHRO-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.68
Rot. Bonds3

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

2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (PubChem CID 154659102) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
PubChem CID154659102
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)
InChIKeyCYEABSUHPBMHRO-UHFFFAOYSA-N
XLogP2.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (CID 154659102) is 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is O=C(O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The InChIKey is CYEABSUHPBMHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid has a molecular weight of 287.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is sourced from PubChem (CID 154659102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).