1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one

C14H11BrClNO2 — CID 105128853

IUPAC1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1cncc(Br)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-5-10(7-17-8-11)6-13(18)9-19-14-3-1-12(16)2-4-14/h1-5,7-8H,6,9H2
InChIKeyUXZSFPCVOVFAIV-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.69
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one

1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one (PubChem CID 105128853) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
PubChem CID105128853
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1cncc(Br)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-5-10(7-17-8-11)6-13(18)9-19-14-3-1-12(16)2-4-14/h1-5,7-8H,6,9H2
InChIKeyUXZSFPCVOVFAIV-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 105083862
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
CID 115801231
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
1-(5-bromo-3-pyridinyl)-4-methylsulfanylbutan-2-one
CID 105128936

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one (CID 105128853) is 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one is O=C(COc1ccc(Cl)cc1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one?
The InChIKey is UXZSFPCVOVFAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-11-5-10(7-17-8-11)6-13(18)9-19-14-3-1-12(16)2-4-14/h1-5,7-8H,6,9H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one?
1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one has a molecular weight of 340.60 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one is sourced from PubChem (CID 105128853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).