2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid

C13H12N2O3 — CID 107672708

IUPAC2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C13H12N2O3/c1-8-7-10(4-5-11(8)13(16)17)18-12-6-3-9(2)14-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyQHQSTJJTIGDZAP-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid

2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid (PubChem CID 107672708) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
PubChem CID107672708
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C13H12N2O3/c1-8-7-10(4-5-11(8)13(16)17)18-12-6-3-9(2)14-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyQHQSTJJTIGDZAP-UHFFFAOYSA-N
XLogP2.58
TPSA72.31 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
CID 107672579
2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
CID 107672683
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
CID 61311194
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid?
The IUPAC name of 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid (CID 107672708) is 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid?
The canonical SMILES for 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid is Cc1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1.
What is the InChIKey of 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid?
The InChIKey is QHQSTJJTIGDZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-7-10(4-5-11(8)13(16)17)18-12-6-3-9(2)14-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid?
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid is sourced from PubChem (CID 107672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).