5-fluoropyridazine-3-carboxylic acid

C5H3FN2O2 — CID 176600118

IUPAC5-fluoropyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnn1
InChIInChI=1S/C5H3FN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10)
InChIKeyVMDNHQCOODONQX-UHFFFAOYSA-N
MW142.09 g/mol
LogP0.31
Rot. Bonds1

About 5-fluoropyridazine-3-carboxylic acid

5-fluoropyridazine-3-carboxylic acid (PubChem CID 176600118) has the molecular formula C5H3FN2O2 and a molecular weight of 142.09 g/mol. Its IUPAC name is 5-fluoropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoropyridazine-3-carboxylic acid
PubChem CID176600118
Molecular FormulaC5H3FN2O2
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Name5-fluoropyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnn1
InChIInChI=1S/C5H3FN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10)
InChIKeyVMDNHQCOODONQX-UHFFFAOYSA-N
XLogP0.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyridazine-3-carboxylic acid?
The IUPAC name of 5-fluoropyridazine-3-carboxylic acid (CID 176600118) is 5-fluoropyridazine-3-carboxylic acid.
What is the SMILES notation for 5-fluoropyridazine-3-carboxylic acid?
The canonical SMILES for 5-fluoropyridazine-3-carboxylic acid is O=C(O)c1cc(F)cnn1.
What is the InChIKey of 5-fluoropyridazine-3-carboxylic acid?
The InChIKey is VMDNHQCOODONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10).
What are the key properties of 5-fluoropyridazine-3-carboxylic acid?
5-fluoropyridazine-3-carboxylic acid has a molecular weight of 142.09 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyridazine-3-carboxylic acid is sourced from PubChem (CID 176600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).