3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid

C13H10F2N2O2 — CID 116833937

IUPAC3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
SMILESO=C(O)CC(c1cccnn1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-8-3-4-9(11(15)6-8)10(7-13(18)19)12-2-1-5-16-17-12/h1-6,10H,7H2,(H,18,19)
InChIKeySMMYYNKRXWGKOM-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.36
Rot. Bonds4

About 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid

3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid (PubChem CID 116833937) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
PubChem CID116833937
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid
SMILESO=C(O)CC(c1cccnn1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-8-3-4-9(11(15)6-8)10(7-13(18)19)12-2-1-5-16-17-12/h1-6,10H,7H2,(H,18,19)
InChIKeySMMYYNKRXWGKOM-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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Related Compounds

Ridogrel,4-pyridazinyl-M-trifluoromethylphenyl-C
CID 10385168
5-[Pyridazin-3-yl-(3-trifluoromethyl-phenyl)-methyleneaminooxy]-pentanoic acid
CID 44353269
6-[1-Phenyl-1-pyridazin-4-yl-meth-(E)-ylideneaminooxy]-hexanoic acid
CID 10543197
6-[1-Phenyl-1-pyridazin-4-yl-meth-(Z)-ylideneaminooxy]-hexanoic acid
CID 10591274
4-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxybutanoic acid
CID 10684529
4-[(E)-[phenyl(pyridazin-3-yl)methylidene]amino]oxybutanoic acid
CID 10826989
5-[1-Phenyl-1-pyridazin-3-yl-meth-(Z)-ylideneaminooxy]-pentanoic acid
CID 10518243
6-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxyhexanoic acid
CID 10567167
5-[1-Phenyl-1-pyridazin-3-yl-meth-(E)-ylideneaminooxy]-pentanoic acid
CID 10756560
6-[(E)-[phenyl(pyridazin-3-yl)methylidene]amino]oxyhexanoic acid
CID 10757555
6-[(E)-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid
CID 10809849
6-[(Z)-[pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid
CID 10833696

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid (CID 116833937) is 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid is O=C(O)CC(c1cccnn1)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
The InChIKey is SMMYYNKRXWGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-8-3-4-9(11(15)6-8)10(7-13(18)19)12-2-1-5-16-17-12/h1-6,10H,7H2,(H,18,19).
What are the key properties of 3-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid?
3-(2,4-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-(2,4-difluorophenyl)-3-pyridazin-3-ylpropanoic acid is sourced from PubChem (CID 116833937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).