1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one

C16H16BrNO2 — CID 105102243

IUPAC1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
SMILESCOc1ccc(Br)c(CC(=O)CCc2ccccn2)c1
InChIInChI=1S/C16H16BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyACLCSCFTXZEQRF-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one

1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one (PubChem CID 105102243) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
PubChem CID105102243
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
SMILESCOc1ccc(Br)c(CC(=O)CCc2ccccn2)c1
InChIInChI=1S/C16H16BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyACLCSCFTXZEQRF-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one 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

1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
1-(5-chloro-2-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105090970
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
1-(2-bromo-5-methoxyphenyl)-5-methoxyhexan-2-one
CID 105102302
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
CID 65327335
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one (CID 105102243) is 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one is COc1ccc(Br)c(CC(=O)CCc2ccccn2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one?
The InChIKey is ACLCSCFTXZEQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11H,5-6,10H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one?
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one has a molecular weight of 334.21 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 105102243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).