1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone

C14H12BrNO2 — CID 83119046

IUPAC1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2C)cn1
InChIInChI=1S/C14H12BrNO2/c1-9-7-11(15)3-6-14(9)18-12-4-5-13(10(2)17)16-8-12/h3-8H,1-2H3
InChIKeyAVLLTMNREVNTLA-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.15
Rot. Bonds3

About 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone

1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone (PubChem CID 83119046) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
PubChem CID83119046
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2C)cn1
InChIInChI=1S/C14H12BrNO2/c1-9-7-11(15)3-6-14(9)18-12-4-5-13(10(2)17)16-8-12/h3-8H,1-2H3
InChIKeyAVLLTMNREVNTLA-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-bromo-2-methylphenoxy)-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-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
1-[5-(4-bromo-2-methylphenoxy)-2-nitrophenyl]ethanone
CID 104613841
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
CID 83118898
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone (CID 83119046) is 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc(Br)cc2C)cn1.
What is the InChIKey of 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone?
The InChIKey is AVLLTMNREVNTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-7-11(15)3-6-14(9)18-12-4-5-13(10(2)17)16-8-12/h3-8H,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone?
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone has a molecular weight of 306.16 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).