2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone

C13H9BrClNO2 — CID 54764842

IUPAC2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2
InChIKeyGJPGWMDXGZVAKW-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone

2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone (PubChem CID 54764842) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone
PubChem CID54764842
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2
InChIKeyGJPGWMDXGZVAKW-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Etofibrate
CID 65777
3-Bromophenyl nicotinate
CID 3238017
4-Bromophenyl nicotinate
CID 5183714
2-(2-Bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2081601
2-(4-Bromophenoxy)ethyl 6-chloropyridine-3-carboxylate
CID 2095395
(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
CID 127035266
2-(3-Bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone
CID 57391480
1-(6-Chloro-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 57393245
1-(6-Chloro-3-pyridinyl)-2-(2-pyridin-2-ylphenoxy)ethanone
CID 57396719
6-(4-Chlorophenoxy)pyridine-3-carbaldehyde
CID 23433264
1-(6-Chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
1-(6-Chloro-3-pyridinyl)-2-(2-phenylphenoxy)ethanone
CID 57391482

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone (CID 54764842) is 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone is O=C(COc1ccccc1Br)c1ccc(Cl)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone?
The InChIKey is GJPGWMDXGZVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2.
What are the key properties of 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone?
2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone has a molecular weight of 326.58 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone is sourced from PubChem (CID 54764842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).