2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid

C14H13N3O4 — CID 107672683

IUPAC2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
SMILESCNC(=O)c1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C14H13N3O4/c1-8-7-9(3-4-10(8)14(19)20)21-12-6-5-11(16-17-12)13(18)15-2/h3-7H,1-2H3,(H,15,18)(H,19,20)
InChIKeyBOZYIMINJUXEJT-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid

2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid (PubChem CID 107672683) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
PubChem CID107672683
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
SMILESCNC(=O)c1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C14H13N3O4/c1-8-7-9(3-4-10(8)14(19)20)21-12-6-5-11(16-17-12)13(18)15-2/h3-7H,1-2H3,(H,15,18)(H,19,20)
InChIKeyBOZYIMINJUXEJT-UHFFFAOYSA-N
XLogP1.64
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
CID 107672579
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708
N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
CID 106486781
6-[3-(aminomethyl)-5-methoxyphenoxy]-N-methylpyridazine-3-carboxamide
CID 103568225
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
CID 60791786
6-[4-(4-fluorobenzoyl)phenoxy]-N-phenylpyridazine-3-carboxamide
CID 133313243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid?
The IUPAC name of 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid (CID 107672683) is 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid.
What is the SMILES notation for 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid?
The canonical SMILES for 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid is CNC(=O)c1ccc(Oc2ccc(C(=O)O)c(C)c2)nn1.
What is the InChIKey of 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid?
The InChIKey is BOZYIMINJUXEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-7-9(3-4-10(8)14(19)20)21-12-6-5-11(16-17-12)13(18)15-2/h3-7H,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid?
2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid is sourced from PubChem (CID 107672683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).