1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol

C13H10BrClFNO — CID 113393957

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClFNO/c14-9-4-5-11(17-7-9)12(18)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,18H,6H2
InChIKeyXDJSTENPERCKKN-UHFFFAOYSA-N
MW330.58 g/mol
LogP3.91
Rot. Bonds3

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

1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 113393957) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID113393957
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClFNO/c14-9-4-5-11(17-7-9)12(18)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,18H,6H2
InChIKeyXDJSTENPERCKKN-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 112653500
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 105267678

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 113393957) is 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1Cl)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is XDJSTENPERCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-9-4-5-11(17-7-9)12(18)6-8-2-1-3-10(16)13(8)15/h1-5,7,12,18H,6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol has a molecular weight of 330.58 g/mol, XLogP of 3.91, 3 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-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 113393957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).