5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid

C6H6BrN3O2 — CID 130116172

IUPAC5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
SMILESCc1nc(N)c(Br)nc1C(=O)O
InChIInChI=1S/C6H6BrN3O2/c1-2-3(6(11)12)10-4(7)5(8)9-2/h1H3,(H2,8,9)(H,11,12)
InChIKeyLHJMORGROSOEHB-UHFFFAOYSA-N
MW232.04 g/mol
LogP0.83
Rot. Bonds1

About 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid

5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid (PubChem CID 130116172) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
PubChem CID130116172
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
SMILESCc1nc(N)c(Br)nc1C(=O)O
InChIInChI=1S/C6H6BrN3O2/c1-2-3(6(11)12)10-4(7)5(8)9-2/h1H3,(H2,8,9)(H,11,12)
InChIKeyLHJMORGROSOEHB-UHFFFAOYSA-N
XLogP0.83
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
CID 105488793
3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
CID 156743414
6-bromo-3-methoxy-5-methylpyrazine-2-carboxylic acid
CID 84728734
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605
3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid
CID 83818249
3-amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
CID 10330209
6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
CID 83868984
2-bromo-5-methylpyrimidine-4-carboxylic acid
CID 151168996

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid?
The IUPAC name of 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid (CID 130116172) is 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid is Cc1nc(N)c(Br)nc1C(=O)O.
What is the InChIKey of 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid?
The InChIKey is LHJMORGROSOEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-2-3(6(11)12)10-4(7)5(8)9-2/h1H3,(H2,8,9)(H,11,12).
What are the key properties of 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid?
5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid has a molecular weight of 232.04 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 130116172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).