2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid

C15H13N3O3 — CID 154659101

IUPAC2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESCOc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZOOIWCXQBMGQLI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid

2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (PubChem CID 154659101) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
PubChem CID154659101
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESCOc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZOOIWCXQBMGQLI-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (CID 154659101) is 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is COc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The InChIKey is ZOOIWCXQBMGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is sourced from PubChem (CID 154659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).