2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone

C11H8BrN3O — CID 157022812

IUPAC2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone
SMILESO=C(c1ccccn1)C(Br)c1cnccn1
InChIInChI=1S/C11H8BrN3O/c12-10(9-7-13-5-6-15-9)11(16)8-3-1-2-4-14-8/h1-7,10H
InChIKeyDLSKLTSZGPPIDZ-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.19
Rot. Bonds3

About 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone

2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone (PubChem CID 157022812) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone
PubChem CID157022812
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone
SMILESO=C(c1ccccn1)C(Br)c1cnccn1
InChIInChI=1S/C11H8BrN3O/c12-10(9-7-13-5-6-15-9)11(16)8-3-1-2-4-14-8/h1-7,10H
InChIKeyDLSKLTSZGPPIDZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone?
The IUPAC name of 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone (CID 157022812) is 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone?
The canonical SMILES for 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone is O=C(c1ccccn1)C(Br)c1cnccn1.
What is the InChIKey of 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone?
The InChIKey is DLSKLTSZGPPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-10(9-7-13-5-6-15-9)11(16)8-3-1-2-4-14-8/h1-7,10H.
What are the key properties of 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone?
2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone has a molecular weight of 278.11 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone is sourced from PubChem (CID 157022812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).