3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid

C8H8N2O4 — CID 18668118

IUPAC3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
SMILESCOC(=O)c1ncc(C)nc1C(=O)O
InChIInChI=1S/C8H8N2O4/c1-4-3-9-6(8(13)14-2)5(10-4)7(11)12/h3H,1-2H3,(H,11,12)
InChIKeyFDBBJMWLGKHKRF-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.27
Rot. Bonds2

About 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid

3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid (PubChem CID 18668118) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
PubChem CID18668118
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
SMILESCOC(=O)c1ncc(C)nc1C(=O)O
InChIInChI=1S/C8H8N2O4/c1-4-3-9-6(8(13)14-2)5(10-4)7(11)12/h3H,1-2H3,(H,11,12)
InChIKeyFDBBJMWLGKHKRF-UHFFFAOYSA-N
XLogP0.27
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
CID 67797440
3-(3,5-dicarboxypyrazine-2-carbonyl)oxycarbonylpyrazine-2,6-dicarboxylic acid chloride
CID 19005759
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
5-methoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998517
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
3-(dimethylamino)-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 3-(dimethylamino)-6-(4-methylphenyl)pyrazine-2-carboxylate
CID 162205619

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid (CID 18668118) is 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid is COC(=O)c1ncc(C)nc1C(=O)O.
What is the InChIKey of 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid?
The InChIKey is FDBBJMWLGKHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-4-3-9-6(8(13)14-2)5(10-4)7(11)12/h3H,1-2H3,(H,11,12).
What are the key properties of 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid?
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 18668118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).