2-bromo-1-(6-ethyl-3-pyridinyl)ethanone

C9H10BrNO — CID 126484082

IUPAC2-bromo-1-(6-ethyl-3-pyridinyl)ethanone
SMILESCCc1ccc(C(=O)CBr)cn1
InChIInChI=1S/C9H10BrNO/c1-2-8-4-3-7(6-11-8)9(12)5-10/h3-4,6H,2,5H2,1H3
InChIKeyMNMKHMRZQUNNOI-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.22
Rot. Bonds3

About 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone

2-bromo-1-(6-ethyl-3-pyridinyl)ethanone (PubChem CID 126484082) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-ethyl-3-pyridinyl)ethanone
PubChem CID126484082
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-bromo-1-(6-ethyl-3-pyridinyl)ethanone
SMILESCCc1ccc(C(=O)CBr)cn1
InChIInChI=1S/C9H10BrNO/c1-2-8-4-3-7(6-11-8)9(12)5-10/h3-4,6H,2,5H2,1H3
InChIKeyMNMKHMRZQUNNOI-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-ethyl-3-pyridinyl)-2-(methylamino)ethanone
CID 83827922
2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone;hydrobromide
CID 131636933
1-[2-(4-acetylphenyl)pyrimidin-5-yl]-2-bromoethanone
CID 88914295
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
4-(2-bromoacetyl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]benzamide
CID 163208037
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984
4-(2-bromoacetyl)benzoyl chloride
CID 57372356
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
CID 82124816
ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
CID 156799245
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone?
The IUPAC name of 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone (CID 126484082) is 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone is CCc1ccc(C(=O)CBr)cn1.
What is the InChIKey of 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone?
The InChIKey is MNMKHMRZQUNNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-2-8-4-3-7(6-11-8)9(12)5-10/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone?
2-bromo-1-(6-ethyl-3-pyridinyl)ethanone has a molecular weight of 228.09 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-ethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 126484082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).