5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid

C12H7F2N3O2S — CID 58046423

IUPAC5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3cccnn23)c(C(F)F)s1
InChIInChI=1S/C12H7F2N3O2S/c13-11(14)10-6(4-8(20-10)12(18)19)7-5-15-9-2-1-3-16-17(7)9/h1-5,11H,(H,18,19)
InChIKeyXTOZCMJZEZCXIC-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.09
Rot. Bonds3

About 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid

5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (PubChem CID 58046423) has the molecular formula C12H7F2N3O2S and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
PubChem CID58046423
Molecular FormulaC12H7F2N3O2S
Molecular Weight295.27 g/mol
Exact Mass295.02
IUPAC Name5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc3cccnn23)c(C(F)F)s1
InChIInChI=1S/C12H7F2N3O2S/c13-11(14)10-6(4-8(20-10)12(18)19)7-5-15-9-2-1-3-16-17(7)9/h1-5,11H,(H,18,19)
InChIKeyXTOZCMJZEZCXIC-UHFFFAOYSA-N
XLogP3.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid (CID 58046423) is 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is O=C(O)c1cc(-c2cnc3cccnn23)c(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
The InChIKey is XTOZCMJZEZCXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O2S/c13-11(14)10-6(4-8(20-10)12(18)19)7-5-15-9-2-1-3-16-17(7)9/h1-5,11H,(H,18,19).
What are the key properties of 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid?
5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 58046423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).