5-methoxypyrazine-2-carboxylic acid;hydrochloride

C6H7ClN2O3 — CID 121268158

IUPAC5-methoxypyrazine-2-carboxylic acid;hydrochloride
SMILESCOc1cnc(C(=O)O)cn1.Cl
InChIInChI=1S/C6H6N2O3.ClH/c1-11-5-3-7-4(2-8-5)6(9)10;/h2-3H,1H3,(H,9,10);1H
InChIKeyBWPREVHZILKXNV-UHFFFAOYSA-N
MW190.59 g/mol
LogP0.61
Rot. Bonds2

About 5-methoxypyrazine-2-carboxylic acid;hydrochloride

5-methoxypyrazine-2-carboxylic acid;hydrochloride (PubChem CID 121268158) has the molecular formula C6H7ClN2O3 and a molecular weight of 190.59 g/mol. Its IUPAC name is 5-methoxypyrazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methoxypyrazine-2-carboxylic acid;hydrochloride
PubChem CID121268158
Molecular FormulaC6H7ClN2O3
Molecular Weight190.59 g/mol
Exact Mass190.01
IUPAC Name5-methoxypyrazine-2-carboxylic acid;hydrochloride
SMILESCOc1cnc(C(=O)O)cn1.Cl
InChIInChI=1S/C6H6N2O3.ClH/c1-11-5-3-7-4(2-8-5)6(9)10;/h2-3H,1H3,(H,9,10);1H
InChIKeyBWPREVHZILKXNV-UHFFFAOYSA-N
XLogP0.61
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-methoxypyrazine-2-carboxylic acid;hydrochloride (CID 121268158) is 5-methoxypyrazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methoxypyrazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methoxypyrazine-2-carboxylic acid;hydrochloride is COc1cnc(C(=O)O)cn1.Cl.
What is the InChIKey of 5-methoxypyrazine-2-carboxylic acid;hydrochloride?
The InChIKey is BWPREVHZILKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.ClH/c1-11-5-3-7-4(2-8-5)6(9)10;/h2-3H,1H3,(H,9,10);1H.
What are the key properties of 5-methoxypyrazine-2-carboxylic acid;hydrochloride?
5-methoxypyrazine-2-carboxylic acid;hydrochloride has a molecular weight of 190.59 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 121268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).