6-bromo-3-ethylpyrazine-2-carboxamide

C7H8BrN3O — CID 91884476

IUPAC6-bromo-3-ethylpyrazine-2-carboxamide
SMILESCCc1ncc(Br)nc1C(N)=O
InChIInChI=1S/C7H8BrN3O/c1-2-4-6(7(9)12)11-5(8)3-10-4/h3H,2H2,1H3,(H2,9,12)
InChIKeyLQDXCKAVEGVXJL-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.90
Rot. Bonds2

About 6-bromo-3-ethylpyrazine-2-carboxamide

6-bromo-3-ethylpyrazine-2-carboxamide (PubChem CID 91884476) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 6-bromo-3-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-ethylpyrazine-2-carboxamide
PubChem CID91884476
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name6-bromo-3-ethylpyrazine-2-carboxamide
SMILESCCc1ncc(Br)nc1C(N)=O
InChIInChI=1S/C7H8BrN3O/c1-2-4-6(7(9)12)11-5(8)3-10-4/h3H,2H2,1H3,(H2,9,12)
InChIKeyLQDXCKAVEGVXJL-UHFFFAOYSA-N
XLogP0.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylpyrazine-2-carboxamide?
The IUPAC name of 6-bromo-3-ethylpyrazine-2-carboxamide (CID 91884476) is 6-bromo-3-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-bromo-3-ethylpyrazine-2-carboxamide?
The canonical SMILES for 6-bromo-3-ethylpyrazine-2-carboxamide is CCc1ncc(Br)nc1C(N)=O.
What is the InChIKey of 6-bromo-3-ethylpyrazine-2-carboxamide?
The InChIKey is LQDXCKAVEGVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-2-4-6(7(9)12)11-5(8)3-10-4/h3H,2H2,1H3,(H2,9,12).
What are the key properties of 6-bromo-3-ethylpyrazine-2-carboxamide?
6-bromo-3-ethylpyrazine-2-carboxamide has a molecular weight of 230.06 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 91884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).