2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid

C13H12N2O4 — CID 3400443

IUPAC2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid
SMILESCOc1ccc(C(C(=O)O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H12N2O4/c1-19-9-4-2-8(3-5-9)12(13(17)18)10-6-7-11(16)15-14-10/h2-7,12H,1H3,(H,15,16)(H,17,18)
InChIKeyQEYJLLXSEYALQK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.00
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid

2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid (PubChem CID 3400443) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid
PubChem CID3400443
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid
SMILESCOc1ccc(C(C(=O)O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H12N2O4/c1-19-9-4-2-8(3-5-9)12(13(17)18)10-6-7-11(16)15-14-10/h2-7,12H,1H3,(H,15,16)(H,17,18)
InChIKeyQEYJLLXSEYALQK-UHFFFAOYSA-N
XLogP1.00
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid
CID 142375762
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
3-(4-methoxyanilino)-1H-pyridazin-6-one
CID 54765726
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid
CID 138058935
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid (CID 3400443) is 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid is COc1ccc(C(C(=O)O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid?
The InChIKey is QEYJLLXSEYALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-9-4-2-8(3-5-9)12(13(17)18)10-6-7-11(16)15-14-10/h2-7,12H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid?
2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetic acid is sourced from PubChem (CID 3400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).