3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid

C17H11FN2O2 — CID 122569758

IUPAC3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C17H11FN2O2/c18-14-6-4-11(5-7-14)15-8-9-16(20-19-15)12-2-1-3-13(10-12)17(21)22/h1-10H,(H,21,22)
InChIKeyJVQITKNJHRTXOC-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.65
Rot. Bonds3

About 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid

3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid (PubChem CID 122569758) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid
PubChem CID122569758
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C17H11FN2O2/c18-14-6-4-11(5-7-14)15-8-9-16(20-19-15)12-2-1-3-13(10-12)17(21)22/h1-10H,(H,21,22)
InChIKeyJVQITKNJHRTXOC-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid?
The IUPAC name of 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid (CID 122569758) is 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid?
The canonical SMILES for 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid is O=C(O)c1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1.
What is the InChIKey of 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid?
The InChIKey is JVQITKNJHRTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-14-6-4-11(5-7-14)15-8-9-16(20-19-15)12-2-1-3-13(10-12)17(21)22/h1-10H,(H,21,22).
What are the key properties of 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid?
3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid has a molecular weight of 294.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 122569758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).