1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone

C7H10BrNO — CID 130841879

IUPAC1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CCC=C(Br)C1
InChIInChI=1S/C7H10BrNO/c1-6(10)9-4-2-3-7(8)5-9/h3H,2,4-5H2,1H3
InChIKeyZDQRLOHJUXGXNW-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.52
Rot. Bonds

About 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 130841879) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID130841879
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CCC=C(Br)C1
InChIInChI=1S/C7H10BrNO/c1-6(10)9-4-2-3-7(8)5-9/h3H,2,4-5H2,1H3
InChIKeyZDQRLOHJUXGXNW-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)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

benzyl 5-bromo-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138039619
1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121184138
1-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanone
CID 135182588
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine
CID 164664166
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316937
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
1-(azetidin-1-yl)ethanone
CID 14061673
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614
[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
CID 23568786
1,4-diacetylpiperazin-2-one
CID 45099917

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 130841879) is 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1CCC=C(Br)C1.
What is the InChIKey of 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is ZDQRLOHJUXGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-6(10)9-4-2-3-7(8)5-9/h3H,2,4-5H2,1H3.
What are the key properties of 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 204.07 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 130841879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).