1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol

C15H15BrFNO — CID 81437627

IUPAC1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)c(F)c2)nc1
InChIInChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)11-4-6-13(16)14(17)7-11/h3-7,9,15,19H,2,8H2,1H3
InChIKeyCQGBNVICIOLSBY-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 81437627) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID81437627
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Br)c(F)c2)nc1
InChIInChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)11-4-6-13(16)14(17)7-11/h3-7,9,15,19H,2,8H2,1H3
InChIKeyCQGBNVICIOLSBY-UHFFFAOYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(2,5-dibromophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822341
1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822400
1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 81437627) is 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2ccc(Br)c(F)c2)nc1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is CQGBNVICIOLSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)11-4-6-13(16)14(17)7-11/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 324.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 81437627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).