1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one

C10H9BrF3NO — CID 115515990

IUPAC1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H9BrF3NO/c11-8-4-7(5-15-6-8)9(16)2-1-3-10(12,13)14/h4-6H,1-3H2
InChIKeyAOPBXNJDZPQSRQ-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.76
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one

1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one (PubChem CID 115515990) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one
PubChem CID115515990
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H9BrF3NO/c11-8-4-7(5-15-6-8)9(16)2-1-3-10(12,13)14/h4-6H,1-3H2
InChIKeyAOPBXNJDZPQSRQ-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-5,5,5-trifluoropentan-1-one
CID 114329558
1-(2,6-dimethyl-4-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 107502589
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
CID 130601241
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-(5-fluoro-3-pyridinyl)undecan-1-one
CID 105091475
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
1-(4-butoxyphenyl)-5,5,5-trifluoropentan-1-one
CID 105123323
5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one (CID 115515990) is 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is AOPBXNJDZPQSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-8-4-7(5-15-6-8)9(16)2-1-3-10(12,13)14/h4-6H,1-3H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one?
1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 296.09 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 115515990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).