1-(5-bromo-3-pyridinyl)ethanone

C7H6BrNO — CID 820423

IUPAC1-(5-bromo-3-pyridinyl)ethanone
SMILESCC(=O)c1cncc(Br)c1
InChIInChI=1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
InChIKeyLDBPZEQZCOUYFT-UHFFFAOYSA-N
MW200.03 g/mol
LogP2.05
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)ethanone

1-(5-bromo-3-pyridinyl)ethanone (PubChem CID 820423) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)ethanone
PubChem CID820423
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name1-(5-bromo-3-pyridinyl)ethanone
SMILESCC(=O)c1cncc(Br)c1
InChIInChI=1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
InChIKeyLDBPZEQZCOUYFT-UHFFFAOYSA-N
XLogP2.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-3-pyridinyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(4-acetylphenyl) 5-bromopyridine-3-carboxylate
CID 3260488
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;oxolane;bromide
CID 160861479
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-bromo-3-pyridinyl)ethanone (CID 820423) is 1-(5-bromo-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)ethanone is CC(=O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)ethanone?
The InChIKey is LDBPZEQZCOUYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)ethanone?
1-(5-bromo-3-pyridinyl)ethanone has a molecular weight of 200.03 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)ethanone is sourced from PubChem (CID 820423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).