2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone

C14H12BrNO2 — CID 118191503

IUPAC2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cccc(Br)n2)cc1
InChIInChI=1S/C14H12BrNO2/c1-10-5-7-11(8-6-10)12(17)9-18-14-4-2-3-13(15)16-14/h2-8H,9H2,1H3
InChIKeyYLSSOHQBLMJUSY-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.41
Rot. Bonds4

About 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone

2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone (PubChem CID 118191503) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone
PubChem CID118191503
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cccc(Br)n2)cc1
InChIInChI=1S/C14H12BrNO2/c1-10-5-7-11(8-6-10)12(17)9-18-14-4-2-3-13(15)16-14/h2-8H,9H2,1H3
InChIKeyYLSSOHQBLMJUSY-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)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-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
(6-bromo-2-pyridinyl)oxymethanethiol
CID 87273742
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
CID 19366333
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone (CID 118191503) is 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2cccc(Br)n2)cc1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone?
The InChIKey is YLSSOHQBLMJUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10-5-7-11(8-6-10)12(17)9-18-14-4-2-3-13(15)16-14/h2-8H,9H2,1H3.
What are the key properties of 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone?
2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)oxy]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 118191503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).