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

C14H14N2O2 — CID 82477699

IUPAC2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
SMILESCCc1ccc(-c2nccnc2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-2-10-3-5-11(6-4-10)14-12(9-13(17)18)15-7-8-16-14/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyMHVNQVWTXAKTJQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.33
Rot. Bonds4

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

2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid (PubChem CID 82477699) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
PubChem CID82477699
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
SMILESCCc1ccc(-c2nccnc2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-2-10-3-5-11(6-4-10)14-12(9-13(17)18)15-7-8-16-14/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyMHVNQVWTXAKTJQ-UHFFFAOYSA-N
XLogP2.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-butan-2-ylphenyl)pyrazin-2-yl]acetic acid
CID 82488188
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39349792
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
CID 105489126
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
[3-(4-propylphenyl)pyrazin-2-yl]methanamine
CID 82473726
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid (CID 82477699) is 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid is CCc1ccc(-c2nccnc2CC(=O)O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid?
The InChIKey is MHVNQVWTXAKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-10-3-5-11(6-4-10)14-12(9-13(17)18)15-7-8-16-14/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid?
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82477699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).