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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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).