6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid

C15H16N2O3 — CID 77079497

IUPAC6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCCOC(C)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C15H16N2O3/c1-3-20-10(2)11-4-6-12(7-5-11)13-8-16-9-14(17-13)15(18)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyJSZIXCXLJONCFI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.94
Rot. Bonds5

About 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid

6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 77079497) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID77079497
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid
SMILESCCOC(C)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C15H16N2O3/c1-3-20-10(2)11-4-6-12(7-5-11)13-8-16-9-14(17-13)15(18)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyJSZIXCXLJONCFI-UHFFFAOYSA-N
XLogP2.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
CID 99936616
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
6-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 83850719
5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
CID 56707076
4-[4-(1-ethoxyethyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 122558003
5-(4,4-dimethylpentan-2-yl)-2-[4-(1-ethoxyethyl)phenyl]pyridine
CID 171083718
ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
CID 163271094
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
4-(1-ethoxyethyl)phenol
CID 15774870
6-(3-phenylphenyl)pyrazine-2-carboxylic acid
CID 58774790
[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 74251376
pyrazine-2,6-dicarboxylic acid
CID 11601391

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid (CID 77079497) is 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid is CCOC(C)c1ccc(-c2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is JSZIXCXLJONCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-10(2)11-4-6-12(7-5-11)13-8-16-9-14(17-13)15(18)19/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid?
6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 77079497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).