1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone

C14H12BrNO2 — CID 114055671

IUPAC1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1ccc(Br)cc1C
InChIInChI=1S/C14H12BrNO2/c1-9-8-11(15)5-6-13(9)18-14-12(10(2)17)4-3-7-16-14/h3-8H,1-2H3
InChIKeyACUQKHXRBIHXAH-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.15
Rot. Bonds3

About 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone

1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone (PubChem CID 114055671) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
PubChem CID114055671
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1ccc(Br)cc1C
InChIInChI=1S/C14H12BrNO2/c1-9-8-11(15)5-6-13(9)18-14-12(10(2)17)4-3-7-16-14/h3-8H,1-2H3
InChIKeyACUQKHXRBIHXAH-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-[2-(4-bromo-2-methylphenoxy)-3-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

2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
CID 43238290
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451
1-[5-(4-bromo-2-methylphenoxy)-2-nitrophenyl]ethanone
CID 104613841
1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
CID 114055674
(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083606
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone (CID 114055671) is 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone is CC(=O)c1cccnc1Oc1ccc(Br)cc1C.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is ACUQKHXRBIHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-8-11(15)5-6-13(9)18-14-12(10(2)17)4-3-7-16-14/h3-8H,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone?
1-[2-(4-bromo-2-methylphenoxy)-3-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-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 114055671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).