2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine

C7H6BrN3 — CID 70700892

IUPAC2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1nc2[nH]ccc2nc1Br
InChIInChI=1S/C7H6BrN3/c1-4-6(8)11-5-2-3-9-7(5)10-4/h2-3H,1H3,(H,9,10)
InChIKeyDKJPISUROVINRP-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.03
Rot. Bonds

About 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine

2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 70700892) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID70700892
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1nc2[nH]ccc2nc1Br
InChIInChI=1S/C7H6BrN3/c1-4-6(8)11-5-2-3-9-7(5)10-4/h2-3H,1H3,(H,9,10)
InChIKeyDKJPISUROVINRP-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 70700892) is 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine is Cc1nc2[nH]ccc2nc1Br.
What is the InChIKey of 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is DKJPISUROVINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-6(8)11-5-2-3-9-7(5)10-4/h2-3H,1H3,(H,9,10).
What are the key properties of 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine?
2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 212.05 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 70700892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).