2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid

C12H12N2O4 — CID 15612407

IUPAC2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H12N2O4/c15-11-6-5-10(13-14-11)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,14,15)(H,16,17)
InChIKeyLCCVEMOCDJDPPG-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.76
Rot. Bonds4

About 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid

2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid (PubChem CID 15612407) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid
PubChem CID15612407
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H12N2O4/c15-11-6-5-10(13-14-11)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,14,15)(H,16,17)
InChIKeyLCCVEMOCDJDPPG-UHFFFAOYSA-N
XLogP0.76
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid (CID 15612407) is 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid is O=C(O)COc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid?
The InChIKey is LCCVEMOCDJDPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-11-6-5-10(13-14-11)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid?
2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid is sourced from PubChem (CID 15612407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).