5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid

C9H5FN2O2S — CID 118468559

IUPAC5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)nn2)s1
InChIInChI=1S/C9H5FN2O2S/c10-8-4-1-5(11-12-8)6-2-3-7(15-6)9(13)14/h1-4H,(H,13,14)
InChIKeyUYFFGONBOXBAFQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.04
Rot. Bonds2

About 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid

5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid (PubChem CID 118468559) has the molecular formula C9H5FN2O2S and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid
PubChem CID118468559
Molecular FormulaC9H5FN2O2S
Molecular Weight224.22 g/mol
Exact Mass224.01
IUPAC Name5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)nn2)s1
InChIInChI=1S/C9H5FN2O2S/c10-8-4-1-5(11-12-8)6-2-3-7(15-6)9(13)14/h1-4H,(H,13,14)
InChIKeyUYFFGONBOXBAFQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid (CID 118468559) is 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(F)nn2)s1.
What is the InChIKey of 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid?
The InChIKey is UYFFGONBOXBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O2S/c10-8-4-1-5(11-12-8)6-2-3-7(15-6)9(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid?
5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoropyridazin-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 118468559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).