5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid

C11H9N3O4 — CID 138716422

IUPAC5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)nc2)c(=O)[nH]n1
InChIInChI=1S/C11H9N3O4/c1-6-4-9(10(15)14-13-6)18-7-2-3-8(11(16)17)12-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyPYSZIQWFQZWJIM-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.96
Rot. Bonds3

About 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid

5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid (PubChem CID 138716422) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid
PubChem CID138716422
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)nc2)c(=O)[nH]n1
InChIInChI=1S/C11H9N3O4/c1-6-4-9(10(15)14-13-6)18-7-2-3-8(11(16)17)12-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyPYSZIQWFQZWJIM-UHFFFAOYSA-N
XLogP0.96
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
CID 138716369
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 115491098

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid (CID 138716422) is 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid is Cc1cc(Oc2ccc(C(=O)O)nc2)c(=O)[nH]n1.
What is the InChIKey of 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid?
The InChIKey is PYSZIQWFQZWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-6-4-9(10(15)14-13-6)18-7-2-3-8(11(16)17)12-5-7/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid?
5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 138716422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).