3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid

C13H10F2N2O2 — CID 116833936

IUPAC3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(F)c(F)c1)c1cccnn1
InChIInChI=1S/C13H10F2N2O2/c14-10-4-3-8(6-11(10)15)9(7-13(18)19)12-2-1-5-16-17-12/h1-6,9H,7H2,(H,18,19)
InChIKeyYSEUYLWETUPJDC-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.36
Rot. Bonds4

About 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid

3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid (PubChem CID 116833936) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
PubChem CID116833936
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(F)c(F)c1)c1cccnn1
InChIInChI=1S/C13H10F2N2O2/c14-10-4-3-8(6-11(10)15)9(7-13(18)19)12-2-1-5-16-17-12/h1-6,9H,7H2,(H,18,19)
InChIKeyYSEUYLWETUPJDC-UHFFFAOYSA-N
XLogP2.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The IUPAC name of 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid (CID 116833936) is 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid is O=C(O)CC(c1ccc(F)c(F)c1)c1cccnn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The InChIKey is YSEUYLWETUPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-4-3-8(6-11(10)15)9(7-13(18)19)12-2-1-5-16-17-12/h1-6,9H,7H2,(H,18,19).
What are the key properties of 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid has a molecular weight of 264.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid is sourced from PubChem (CID 116833936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).