1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone

C13H9BrClNO2 — CID 64600412

IUPAC1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cncc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrClNO2/c1-8(17)9-2-3-13(12(14)4-9)18-11-5-10(15)6-16-7-11/h2-7H,1H3
InChIKeyZXCMGPMYGBXBPM-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.49
Rot. Bonds3

About 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone

1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone (PubChem CID 64600412) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
PubChem CID64600412
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cncc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrClNO2/c1-8(17)9-2-3-13(12(14)4-9)18-11-5-10(15)6-16-7-11/h2-7H,1H3
InChIKeyZXCMGPMYGBXBPM-UHFFFAOYSA-N
XLogP4.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
CID 82804888
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
CID 82797816
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
1-[3-bromo-4-(4-bromo-3-fluorophenoxy)phenyl]ethanone
CID 65201166
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
1-[3-bromo-4-(3-fluorophenoxy)phenyl]ethanone
CID 62909024
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone (CID 64600412) is 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2cncc(Cl)c2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is ZXCMGPMYGBXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c1-8(17)9-2-3-13(12(14)4-9)18-11-5-10(15)6-16-7-11/h2-7H,1H3.
What are the key properties of 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone?
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 326.58 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 64600412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).