2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid

C14H14N2O2 — CID 82477709

IUPAC2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
SMILESCc1ccc(-c2nccnc2CC(=O)O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-4-11(10(2)7-9)14-12(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyIECNGTVKPIIWEX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.39
Rot. Bonds3

About 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid

2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid (PubChem CID 82477709) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
PubChem CID82477709
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
SMILESCc1ccc(-c2nccnc2CC(=O)O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-4-11(10(2)7-9)14-12(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyIECNGTVKPIIWEX-UHFFFAOYSA-N
XLogP2.39
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180938
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
3-bromo-2-(2,4-dimethylphenyl)pyridine
CID 83920163
2-[4-(2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180942
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid (CID 82477709) is 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid is Cc1ccc(-c2nccnc2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid?
The InChIKey is IECNGTVKPIIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-4-11(10(2)7-9)14-12(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid?
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82477709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).