3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid

C12H10N2O4 — CID 107672841

IUPAC3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1ncc[nH]c1=O
InChIInChI=1S/C12H10N2O4/c1-7-6-8(12(16)17)2-3-9(7)18-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyXQORNAZSUQUCKO-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid

3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid (PubChem CID 107672841) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
PubChem CID107672841
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1ncc[nH]c1=O
InChIInChI=1S/C12H10N2O4/c1-7-6-8(12(16)17)2-3-9(7)18-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyXQORNAZSUQUCKO-UHFFFAOYSA-N
XLogP1.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
CID 114570862
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-methyl-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 62702591
4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
CID 107672719
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806
3-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 107672815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid?
The IUPAC name of 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid (CID 107672841) is 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid.
What is the SMILES notation for 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid?
The canonical SMILES for 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid is Cc1cc(C(=O)O)ccc1Oc1ncc[nH]c1=O.
What is the InChIKey of 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid?
The InChIKey is XQORNAZSUQUCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-6-8(12(16)17)2-3-9(7)18-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid?
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid has a molecular weight of 246.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid is sourced from PubChem (CID 107672841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).