2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C13H10BrF2NO — CID 79721551

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C13H10BrF2NO/c14-9-1-3-11(16)8(5-9)6-13(18)12-4-2-10(15)7-17-12/h1-5,7,13,18H,6H2
InChIKeyPICOKPQRKKUEIA-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.40
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 79721551) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID79721551
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccc(F)cn1
InChIInChI=1S/C13H10BrF2NO/c14-9-1-3-11(16)8(5-9)6-13(18)12-4-2-10(15)7-17-12/h1-5,7,13,18H,6H2
InChIKeyPICOKPQRKKUEIA-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 112653500
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113393957
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
2-(5-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)ethanol
CID 65150871
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 79721551) is 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1cc(Br)ccc1F)c1ccc(F)cn1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is PICOKPQRKKUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c14-9-1-3-11(16)8(5-9)6-13(18)12-4-2-10(15)7-17-12/h1-5,7,13,18H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 314.13 g/mol, XLogP of 3.40, 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-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 79721551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).