5-ethylpyrazine-2-carboxylic acid

C7H8N2O2 — CID 21340997

IUPAC5-ethylpyrazine-2-carboxylic acid
SMILESCCc1cnc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2/c1-2-5-3-9-6(4-8-5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyIBVBYQDRKFUCAO-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.74
Rot. Bonds2

About 5-ethylpyrazine-2-carboxylic acid

5-ethylpyrazine-2-carboxylic acid (PubChem CID 21340997) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-ethylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethylpyrazine-2-carboxylic acid
PubChem CID21340997
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-ethylpyrazine-2-carboxylic acid
SMILESCCc1cnc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2/c1-2-5-3-9-6(4-8-5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyIBVBYQDRKFUCAO-UHFFFAOYSA-N
XLogP0.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acipimox
CID 5310993
2-Pyrazinecarboxylic acid
CID 1047
5-Methyl-2-pyrazinecarboxylic acid
CID 122831
6-Chloropyrazine-2-carboxylic acid
CID 14500875
Pyrazine-2,5-dicarboxylic acid
CID 255280
2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
CID 465065
5-Chloropyrazinoic acid
CID 465472
6-Methylpyrazine-2-carboxylic acid
CID 470897
6-Methoxypyrazine-2-carboxylic acid
CID 818295
3-Methylpyrazine-2-carboxylic acid
CID 13153468
5-Methoxy-2-pyrazinecarboxylic acid
CID 45789811
6-Bromopyrazine-2-carboxylic acid
CID 72212645

Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrazine-2-carboxylic acid?
The IUPAC name of 5-ethylpyrazine-2-carboxylic acid (CID 21340997) is 5-ethylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-ethylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-ethylpyrazine-2-carboxylic acid is CCc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-ethylpyrazine-2-carboxylic acid?
The InChIKey is IBVBYQDRKFUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-5-3-9-6(4-8-5)7(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 5-ethylpyrazine-2-carboxylic acid?
5-ethylpyrazine-2-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrazine-2-carboxylic acid is sourced from PubChem (CID 21340997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).