6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid

C10H11N3O4 — CID 71236160

IUPAC6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESC[C@H](O)COc1ccc2nc(C(=O)O)cn2n1
InChIInChI=1S/C10H11N3O4/c1-6(14)5-17-9-3-2-8-11-7(10(15)16)4-13(8)12-9/h2-4,6,14H,5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyHQUDRIXQSZUVHU-LURJTMIESA-N
MW237.22 g/mol
LogP0.19
Rot. Bonds4

About 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid

6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 71236160) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID71236160
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESC[C@H](O)COc1ccc2nc(C(=O)O)cn2n1
InChIInChI=1S/C10H11N3O4/c1-6(14)5-17-9-3-2-8-11-7(10(15)16)4-13(8)12-9/h2-4,6,14H,5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyHQUDRIXQSZUVHU-LURJTMIESA-N
XLogP0.19
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 71236160) is 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid is C[C@H](O)COc1ccc2nc(C(=O)O)cn2n1.
What is the InChIKey of 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is HQUDRIXQSZUVHU-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(14)5-17-9-3-2-8-11-7(10(15)16)4-13(8)12-9/h2-4,6,14H,5H2,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid?
6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 71236160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).