3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride

C8H10Cl2N2O4 — CID 70617975

IUPAC3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
SMILESCc1nc(C(=O)O)c(C)nc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H8N2O4.2ClH/c1-3-5(7(11)12)10-4(2)6(9-3)8(13)14;;/h1-2H3,(H,11,12)(H,13,14);2*1H
InChIKeyBSLGNHHENYSYNA-UHFFFAOYSA-N
MW269.08 g/mol
LogP1.33
Rot. Bonds2

About 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride

3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride (PubChem CID 70617975) has the molecular formula C8H10Cl2N2O4 and a molecular weight of 269.08 g/mol. Its IUPAC name is 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
PubChem CID70617975
Molecular FormulaC8H10Cl2N2O4
Molecular Weight269.08 g/mol
Exact Mass268.00
IUPAC Name3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
SMILESCc1nc(C(=O)O)c(C)nc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H8N2O4.2ClH/c1-3-5(7(11)12)10-4(2)6(9-3)8(13)14;;/h1-2H3,(H,11,12)(H,13,14);2*1H
InChIKeyBSLGNHHENYSYNA-UHFFFAOYSA-N
XLogP1.33
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6-trimethylpyridine-2,3-dicarboxylic acid
CID 23469808
3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
CID 10330209
5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
CID 130116172
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid
CID 83818249
5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid
CID 68571540
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)
CID 23395992

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride?
The IUPAC name of 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride (CID 70617975) is 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride.
What is the SMILES notation for 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride?
The canonical SMILES for 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride is Cc1nc(C(=O)O)c(C)nc1C(=O)O.Cl.Cl.
What is the InChIKey of 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride?
The InChIKey is BSLGNHHENYSYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4.2ClH/c1-3-5(7(11)12)10-4(2)6(9-3)8(13)14;;/h1-2H3,(H,11,12)(H,13,14);2*1H.
What are the key properties of 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride?
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride has a molecular weight of 269.08 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride is sourced from PubChem (CID 70617975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).