3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid

C14H14N2O3 — CID 55107953

IUPAC3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
SMILESCc1cc(C)c(C)c(Oc2nccnc2C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-8-6-9(2)10(3)11(7-8)19-13-12(14(17)18)15-4-5-16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyMGNUNFCCZIZGKJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.89
Rot. Bonds3

About 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid

3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid (PubChem CID 55107953) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
PubChem CID55107953
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
SMILESCc1cc(C)c(C)c(Oc2nccnc2C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-8-6-9(2)10(3)11(7-8)19-13-12(14(17)18)15-4-5-16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyMGNUNFCCZIZGKJ-UHFFFAOYSA-N
XLogP2.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid (CID 55107953) is 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid is Cc1cc(C)c(C)c(Oc2nccnc2C(=O)O)c1.
What is the InChIKey of 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid?
The InChIKey is MGNUNFCCZIZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-6-9(2)10(3)11(7-8)19-13-12(14(17)18)15-4-5-16-13/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid?
3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).