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

C11H8ClN3O4 — CID 138716369

IUPAC5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)cc2Cl)c(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O4/c1-5-2-8(9(16)15-14-5)19-10-7(12)3-6(4-13-10)11(17)18/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyCHBNYJYQTDAFHZ-UHFFFAOYSA-N
MW281.65 g/mol
LogP1.62
Rot. Bonds3

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

5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 138716369) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
PubChem CID138716369
Molecular FormulaC11H8ClN3O4
Molecular Weight281.65 g/mol
Exact Mass281.02
IUPAC Name5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)cc2Cl)c(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O4/c1-5-2-8(9(16)15-14-5)19-10-7(12)3-6(4-13-10)11(17)18/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyCHBNYJYQTDAFHZ-UHFFFAOYSA-N
XLogP1.62
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-2-carboxylic acid
CID 138716422
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
tert-butyl 6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylate
CID 138716372
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
CID 43609551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid (CID 138716369) is 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid is Cc1cc(Oc2ncc(C(=O)O)cc2Cl)c(=O)[nH]n1.
What is the InChIKey of 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is CHBNYJYQTDAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-5-2-8(9(16)15-14-5)19-10-7(12)3-6(4-13-10)11(17)18/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid?
5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 281.65 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 138716369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).