2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one

C14H9BrF3NO — CID 71164854

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one
SMILESCC(F)(C(=O)c1ccc(F)cc1F)c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF3NO/c1-14(18,12-5-2-8(15)7-19-12)13(20)10-4-3-9(16)6-11(10)17/h2-7H,1H3
InChIKeyZOSJVXFMJHWBQG-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.19
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one (PubChem CID 71164854) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one
PubChem CID71164854
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one
SMILESCC(F)(C(=O)c1ccc(F)cc1F)c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF3NO/c1-14(18,12-5-2-8(15)7-19-12)13(20)10-4-3-9(16)6-11(10)17/h2-7H,1H3
InChIKeyZOSJVXFMJHWBQG-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one (CID 71164854) is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one is CC(F)(C(=O)c1ccc(F)cc1F)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one?
The InChIKey is ZOSJVXFMJHWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c1-14(18,12-5-2-8(15)7-19-12)13(20)10-4-3-9(16)6-11(10)17/h2-7H,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one?
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one has a molecular weight of 344.13 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2-fluoropropan-1-one is sourced from PubChem (CID 71164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).