2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid

C14H11N3O2 — CID 155917758

IUPAC2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(-c2cnc3cccnn23)c1
InChIInChI=1S/C14H11N3O2/c18-14(19)8-10-3-1-4-11(7-10)12-9-15-13-5-2-6-16-17(12)13/h1-7,9H,8H2,(H,18,19)
InChIKeyGLBWNLUNIOMEAG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid

2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid (PubChem CID 155917758) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
PubChem CID155917758
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(-c2cnc3cccnn23)c1
InChIInChI=1S/C14H11N3O2/c18-14(19)8-10-3-1-4-11(7-10)12-9-15-13-5-2-6-16-17(12)13/h1-7,9H,8H2,(H,18,19)
InChIKeyGLBWNLUNIOMEAG-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid?
The IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid (CID 155917758) is 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid.
What is the SMILES notation for 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid?
The canonical SMILES for 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid is O=C(O)Cc1cccc(-c2cnc3cccnn23)c1.
What is the InChIKey of 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid?
The InChIKey is GLBWNLUNIOMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)8-10-3-1-4-11(7-10)12-9-15-13-5-2-6-16-17(12)13/h1-7,9H,8H2,(H,18,19).
What are the key properties of 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid?
2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid is sourced from PubChem (CID 155917758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).