2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid

C13H12N2O3 — CID 139246990

IUPAC2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid
SMILESCc1cc(-c2ccccc2)nn(CC(=O)O)c1=O
InChIInChI=1S/C13H12N2O3/c1-9-7-11(10-5-3-2-4-6-10)14-15(13(9)18)8-12(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRWZDRKATBIPUNC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.30
Rot. Bonds3

About 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid

2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid (PubChem CID 139246990) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid
PubChem CID139246990
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid
SMILESCc1cc(-c2ccccc2)nn(CC(=O)O)c1=O
InChIInChI=1S/C13H12N2O3/c1-9-7-11(10-5-3-2-4-6-10)14-15(13(9)18)8-12(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRWZDRKATBIPUNC-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The IUPAC name of 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid (CID 139246990) is 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid is Cc1cc(-c2ccccc2)nn(CC(=O)O)c1=O.
What is the InChIKey of 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid?
The InChIKey is RWZDRKATBIPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-7-11(10-5-3-2-4-6-10)14-15(13(9)18)8-12(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid?
2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid is sourced from PubChem (CID 139246990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).