2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol

C13H8BrF4NO — CID 123365636

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrF4NO/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16/h1-6,12,20H
InChIKeyHKPFCVLIGWROFL-UHFFFAOYSA-N
MW350.11 g/mol
LogP3.95
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol (PubChem CID 123365636) has the molecular formula C13H8BrF4NO and a molecular weight of 350.11 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol
PubChem CID123365636
Molecular FormulaC13H8BrF4NO
Molecular Weight350.11 g/mol
Exact Mass348.97
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrF4NO/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16/h1-6,12,20H
InChIKeyHKPFCVLIGWROFL-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
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)-2,2-difluoroethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol (CID 123365636) is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol is OC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol?
The InChIKey is HKPFCVLIGWROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16/h1-6,12,20H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol?
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol has a molecular weight of 350.11 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 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)-2,2-difluoroethanol is sourced from PubChem (CID 123365636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).