2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone

C14H12BrNO2 — CID 54971414

IUPAC2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
SMILESCOc1ccc(CC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H12BrNO2/c1-18-14-3-2-10(8-12(14)15)9-13(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3
InChIKeySNWRQNQSPRCUIT-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone

2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone (PubChem CID 54971414) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
PubChem CID54971414
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
SMILESCOc1ccc(CC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H12BrNO2/c1-18-14-3-2-10(8-12(14)15)9-13(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3
InChIKeySNWRQNQSPRCUIT-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone 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

2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
phenacyl 2-(3-bromo-4-methoxyphenyl)acetate
CID 19132535
2-(3-bromo-4-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950057
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone (CID 54971414) is 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone is COc1ccc(CC(=O)c2ccncc2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone?
The InChIKey is SNWRQNQSPRCUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-14-3-2-10(8-12(14)15)9-13(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone?
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone has a molecular weight of 306.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 54971414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).