5,6-dimethylpyrazine-2-carboxylic acid

C7H8N2O2 — CID 11126456

IUPAC5,6-dimethylpyrazine-2-carboxylic acid
SMILESCc1ncc(C(=O)O)nc1C
InChIInChI=1S/C7H8N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKeyHNFVMVJWZHNDNF-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.79
Rot. Bonds1

About 5,6-dimethylpyrazine-2-carboxylic acid

5,6-dimethylpyrazine-2-carboxylic acid (PubChem CID 11126456) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5,6-dimethylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethylpyrazine-2-carboxylic acid
PubChem CID11126456
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5,6-dimethylpyrazine-2-carboxylic acid
SMILESCc1ncc(C(=O)O)nc1C
InChIInChI=1S/C7H8N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKeyHNFVMVJWZHNDNF-UHFFFAOYSA-N
XLogP0.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1047
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CID 122831
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CID 66628
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CID 72662
CID 72662
CID 81341
CID 81341
CID 14500875
CID 14500875
CID 255280
CID 255280
CID 465065
CID 465065
CID 1501900
CID 1501900
CID 72507
CID 72507
CID 122708
CID 122708

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyrazine-2-carboxylic acid?
The IUPAC name of 5,6-dimethylpyrazine-2-carboxylic acid (CID 11126456) is 5,6-dimethylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethylpyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-dimethylpyrazine-2-carboxylic acid is Cc1ncc(C(=O)O)nc1C.
What is the InChIKey of 5,6-dimethylpyrazine-2-carboxylic acid?
The InChIKey is HNFVMVJWZHNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethylpyrazine-2-carboxylic acid?
5,6-dimethylpyrazine-2-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyrazine-2-carboxylic acid is sourced from PubChem (CID 11126456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).