1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C16H15BrFNO2 — CID 114905820

IUPAC1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H15BrFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)12-5-4-11(17)6-13(12)18/h4-6,8H,7H2,1-3H3
InChIKeyVIELQWMVSLUMRV-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 114905820) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID114905820
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H15BrFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)12-5-4-11(17)6-13(12)18/h4-6,8H,7H2,1-3H3
InChIKeyVIELQWMVSLUMRV-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-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

1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566
1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 102802705
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 114905820) is 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)c2ccc(Br)cc2F)c1C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is VIELQWMVSLUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-9-8-19-14(10(2)16(9)21-3)7-15(20)12-5-4-11(17)6-13(12)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 352.20 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 114905820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).