4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid

C13H11N3O4 — CID 107672579

IUPAC4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
SMILESCc1cc(Oc2ccc(C(N)=O)nn2)ccc1C(=O)O
InChIInChI=1S/C13H11N3O4/c1-7-6-8(2-3-9(7)13(18)19)20-11-5-4-10(12(14)17)15-16-11/h2-6H,1H3,(H2,14,17)(H,18,19)
InChIKeyVBPWLFAVHRHXGK-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.37
Rot. Bonds4

About 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid

4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid (PubChem CID 107672579) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
PubChem CID107672579
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
SMILESCc1cc(Oc2ccc(C(N)=O)nn2)ccc1C(=O)O
InChIInChI=1S/C13H11N3O4/c1-7-6-8(2-3-9(7)13(18)19)20-11-5-4-10(12(14)17)15-16-11/h2-6H,1H3,(H2,14,17)(H,18,19)
InChIKeyVBPWLFAVHRHXGK-UHFFFAOYSA-N
XLogP1.37
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[6-(methylcarbamoyl)pyridazin-3-yl]oxybenzoic acid
CID 107672683
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
CID 102702984
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
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
CID 60791786
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478

Frequently Asked Questions

What is the IUPAC name of 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid?
The IUPAC name of 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid (CID 107672579) is 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid.
What is the SMILES notation for 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid?
The canonical SMILES for 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid is Cc1cc(Oc2ccc(C(N)=O)nn2)ccc1C(=O)O.
What is the InChIKey of 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid?
The InChIKey is VBPWLFAVHRHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-7-6-8(2-3-9(7)13(18)19)20-11-5-4-10(12(14)17)15-16-11/h2-6H,1H3,(H2,14,17)(H,18,19).
What are the key properties of 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid?
4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid has a molecular weight of 273.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid is sourced from PubChem (CID 107672579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).