2-bromo-1-pyridin-2-ylethanone;hydrobromide

C7H7Br2NO — CID 2776231

IUPAC2-bromo-1-pyridin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)c1ccccn1
InChIInChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
InChIKeyBYKVUGZUYJUSKD-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.24
Rot. Bonds2

About 2-bromo-1-pyridin-2-ylethanone;hydrobromide

2-bromo-1-pyridin-2-ylethanone;hydrobromide (PubChem CID 2776231) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2-bromo-1-pyridin-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-pyridin-2-ylethanone;hydrobromide
PubChem CID2776231
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2-bromo-1-pyridin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)c1ccccn1
InChIInChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
InChIKeyBYKVUGZUYJUSKD-UHFFFAOYSA-N
XLogP2.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-pyridin-2-ylethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-pyridin-2-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-1-pyridin-2-ylethanone;hydrobromide (CID 2776231) is 2-bromo-1-pyridin-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-pyridin-2-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-pyridin-2-ylethanone;hydrobromide is Br.O=C(CBr)c1ccccn1.
What is the InChIKey of 2-bromo-1-pyridin-2-ylethanone;hydrobromide?
The InChIKey is BYKVUGZUYJUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H.
What are the key properties of 2-bromo-1-pyridin-2-ylethanone;hydrobromide?
2-bromo-1-pyridin-2-ylethanone;hydrobromide has a molecular weight of 280.95 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-pyridin-2-ylethanone;hydrobromide is sourced from PubChem (CID 2776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).