3-methoxypyrazine-2-carboxylic acid

C6H6N2O3 — CID 22395692

IUPAC3-methoxypyrazine-2-carboxylic acid
SMILESCOc1nccnc1C(=O)O
InChIInChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10)
InChIKeyHIQNMBCMDBUWJV-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.18
Rot. Bonds2

About 3-methoxypyrazine-2-carboxylic acid

3-methoxypyrazine-2-carboxylic acid (PubChem CID 22395692) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-methoxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxypyrazine-2-carboxylic acid
PubChem CID22395692
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name3-methoxypyrazine-2-carboxylic acid
SMILESCOc1nccnc1C(=O)O
InChIInChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10)
InChIKeyHIQNMBCMDBUWJV-UHFFFAOYSA-N
XLogP0.18
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxypyrazine-2-carboxamide
CID 12571039
3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
CID 62701536
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
(3-methoxypyrazin-2-yl)-(1-methylcyclopropyl)methanone
CID 104515026
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
(3-methoxypyrazin-2-yl)-pyrazin-2-ylmethanone
CID 104514868
2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
CID 104515007
3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
CID 62701891
4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrazine-2-carboxylic acid?
The IUPAC name of 3-methoxypyrazine-2-carboxylic acid (CID 22395692) is 3-methoxypyrazine-2-carboxylic acid.
What is the SMILES notation for 3-methoxypyrazine-2-carboxylic acid?
The canonical SMILES for 3-methoxypyrazine-2-carboxylic acid is COc1nccnc1C(=O)O.
What is the InChIKey of 3-methoxypyrazine-2-carboxylic acid?
The InChIKey is HIQNMBCMDBUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10).
What are the key properties of 3-methoxypyrazine-2-carboxylic acid?
3-methoxypyrazine-2-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrazine-2-carboxylic acid is sourced from PubChem (CID 22395692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).