1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol

C13H11BrFNO — CID 106645019

IUPAC1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
SMILESOC(Cc1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C13H11BrFNO/c14-11-6-3-5-10(13(11)15)12(17)8-9-4-1-2-7-16-9/h1-7,12,17H,8H2
InChIKeyQAUZEZZEOUTNAE-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.26
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol

1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol (PubChem CID 106645019) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
PubChem CID106645019
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
SMILESOC(Cc1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C13H11BrFNO/c14-11-6-3-5-10(13(11)15)12(17)8-9-4-1-2-7-16-9/h1-7,12,17H,8H2
InChIKeyQAUZEZZEOUTNAE-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
1-(2-iodophenyl)-2-pyridin-2-ylethanol
CID 66459481
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
1,2-dipyridin-2-ylethanol
CID 11458306
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol (CID 106645019) is 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol is OC(Cc1ccccn1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol?
The InChIKey is QAUZEZZEOUTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-11-6-3-5-10(13(11)15)12(17)8-9-4-1-2-7-16-9/h1-7,12,17H,8H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol?
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol has a molecular weight of 296.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 106645019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).