3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid

C13H12N2O3 — CID 62701378

IUPAC3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid
SMILESCc1ccc(Oc2nccnc2C(=O)O)cc1C
InChIInChI=1S/C13H12N2O3/c1-8-3-4-10(7-9(8)2)18-12-11(13(16)17)14-5-6-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyGGAWBGYRDQTKDH-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid

3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid (PubChem CID 62701378) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid
PubChem CID62701378
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid
SMILESCc1ccc(Oc2nccnc2C(=O)O)cc1C
InChIInChI=1S/C13H12N2O3/c1-8-3-4-10(7-9(8)2)18-12-11(13(16)17)14-5-6-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyGGAWBGYRDQTKDH-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

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Related Compounds

3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
CID 62701536
3-(4-tert-butyl-2-methylphenoxy)pyrazine-2-carboxylic acid
CID 62701066
3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
CID 55107953
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
3-methoxypyrazine-2-carboxylic acid
CID 22395692
3-(2-tert-butyl-4-methylphenoxy)pyrazine-2-carboxylic acid
CID 62702582
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
CID 81326017
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid (CID 62701378) is 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid is Cc1ccc(Oc2nccnc2C(=O)O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid?
The InChIKey is GGAWBGYRDQTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-4-10(7-9(8)2)18-12-11(13(16)17)14-5-6-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid?
3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic 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 3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).