2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine

C8H6BrClN4 — CID 130586537

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine
SMILESCn1ncc(Br)c1-c1nccnc1Cl
InChIInChI=1S/C8H6BrClN4/c1-14-7(5(9)4-13-14)6-8(10)12-3-2-11-6/h2-4H,1H3
InChIKeyUHHHVFDWEIAJML-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.29
Rot. Bonds1

About 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine

2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine (PubChem CID 130586537) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine
PubChem CID130586537
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine
SMILESCn1ncc(Br)c1-c1nccnc1Cl
InChIInChI=1S/C8H6BrClN4/c1-14-7(5(9)4-13-14)6-8(10)12-3-2-11-6/h2-4H,1H3
InChIKeyUHHHVFDWEIAJML-UHFFFAOYSA-N
XLogP2.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine (CID 130586537) is 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine is Cn1ncc(Br)c1-c1nccnc1Cl.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine?
The InChIKey is UHHHVFDWEIAJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c1-14-7(5(9)4-13-14)6-8(10)12-3-2-11-6/h2-4H,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine?
2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine has a molecular weight of 273.52 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine is sourced from PubChem (CID 130586537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).