6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid

C8H5FN4O2 — CID 155195795

IUPAC6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2cc(F)cn2)nn1
InChIInChI=1S/C8H5FN4O2/c9-5-3-10-13(4-5)7-2-1-6(8(14)15)11-12-7/h1-4H,(H,14,15)
InChIKeyQRBICWITCBBJIJ-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.50
Rot. Bonds2

About 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid

6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid (PubChem CID 155195795) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid
PubChem CID155195795
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2cc(F)cn2)nn1
InChIInChI=1S/C8H5FN4O2/c9-5-3-10-13(4-5)7-2-1-6(8(14)15)11-12-7/h1-4H,(H,14,15)
InChIKeyQRBICWITCBBJIJ-UHFFFAOYSA-N
XLogP0.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid (CID 155195795) is 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(-n2cc(F)cn2)nn1.
What is the InChIKey of 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is QRBICWITCBBJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-5-3-10-13(4-5)7-2-1-6(8(14)15)11-12-7/h1-4H,(H,14,15).
What are the key properties of 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid?
6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 155195795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).