2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

C13H9BrCl2FNO — CID 79786869

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FNO/c14-8-1-7(2-10(17)4-8)3-12(19)13-11(16)5-9(15)6-18-13/h1-2,4-6,12,19H,3H2
InChIKeyIDGVJLIVMVQRKF-UHFFFAOYSA-N
MW365.03 g/mol
LogP4.57
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (PubChem CID 79786869) has the molecular formula C13H9BrCl2FNO and a molecular weight of 365.03 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
PubChem CID79786869
Molecular FormulaC13H9BrCl2FNO
Molecular Weight365.03 g/mol
Exact Mass362.92
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FNO/c14-8-1-7(2-10(17)4-8)3-12(19)13-11(16)5-9(15)6-18-13/h1-2,4-6,12,19H,3H2
InChIKeyIDGVJLIVMVQRKF-UHFFFAOYSA-N
XLogP4.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 79701916
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79701389
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (CID 79786869) is 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The InChIKey is IDGVJLIVMVQRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FNO/c14-8-1-7(2-10(17)4-8)3-12(19)13-11(16)5-9(15)6-18-13/h1-2,4-6,12,19H,3H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol has a molecular weight of 365.03 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 79786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).