4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid

C13H12N2O3 — CID 83063808

IUPAC4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1nccnc1C
InChIInChI=1S/C13H12N2O3/c1-8-3-4-10(13(16)17)7-11(8)18-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyWRVYZYMEYPACQA-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid

4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid (PubChem CID 83063808) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
PubChem CID83063808
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1nccnc1C
InChIInChI=1S/C13H12N2O3/c1-8-3-4-10(13(16)17)7-11(8)18-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyWRVYZYMEYPACQA-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

Analyze 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic 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

4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 61396222
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
3-(2-tert-butylphenoxy)-4-methylbenzoic acid
CID 105405734
3-(2,2-dimethylpropanoyloxy)-4-methylbenzoic acid
CID 174180006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid (CID 83063808) is 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid is Cc1ccc(C(=O)O)cc1Oc1nccnc1C.
What is the InChIKey of 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid?
The InChIKey is WRVYZYMEYPACQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-4-10(13(16)17)7-11(8)18-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid?
4-methyl-3-(3-methylpyrazin-2-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 4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 83063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).