1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol

C16H14BrF4NO — CID 137426930

IUPAC1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol
SMILESCCCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C16H14BrF4NO/c1-2-7-15(23,12-5-4-11(18)8-13(12)19)16(20,21)14-6-3-10(17)9-22-14/h3-6,8-9,23H,2,7H2,1H3
InChIKeyIUZZEQGLJQHIIN-UHFFFAOYSA-N
MW392.19 g/mol
LogP4.90
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol

1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol (PubChem CID 137426930) has the molecular formula C16H14BrF4NO and a molecular weight of 392.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol
PubChem CID137426930
Molecular FormulaC16H14BrF4NO
Molecular Weight392.19 g/mol
Exact Mass391.02
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol
SMILESCCCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C16H14BrF4NO/c1-2-7-15(23,12-5-4-11(18)8-13(12)19)16(20,21)14-6-3-10(17)9-22-14/h3-6,8-9,23H,2,7H2,1H3
InChIKeyIUZZEQGLJQHIIN-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol (CID 137426930) is 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol is CCCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol?
The InChIKey is IUZZEQGLJQHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF4NO/c1-2-7-15(23,12-5-4-11(18)8-13(12)19)16(20,21)14-6-3-10(17)9-22-14/h3-6,8-9,23H,2,7H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol?
1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol has a molecular weight of 392.19 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol is sourced from PubChem (CID 137426930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).