2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol

C13H9Br2ClFNO — CID 114852697

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ncc(Br)cc1Br
InChIInChI=1S/C13H9Br2ClFNO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2
InChIKeyNGFWWBHCWAKPHX-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol (PubChem CID 114852697) has the molecular formula C13H9Br2ClFNO and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
PubChem CID114852697
Molecular FormulaC13H9Br2ClFNO
Molecular Weight409.48 g/mol
Exact Mass406.87
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ncc(Br)cc1Br
InChIInChI=1S/C13H9Br2ClFNO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2
InChIKeyNGFWWBHCWAKPHX-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851950
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
[2-(4-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethyl]hydrazine
CID 105268537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol (CID 114852697) is 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol is OC(Cc1ccc(Cl)cc1F)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The InChIKey is NGFWWBHCWAKPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFNO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol has a molecular weight of 409.48 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol is sourced from PubChem (CID 114852697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).