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

C15H15BrFNO — CID 79740221

IUPAC1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)ccc2F)nc1
InChIInChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)13-7-11(16)4-6-14(13)17/h3-7,9,15,19H,2,8H2,1H3
InChIKeySGTREHVTJFRJII-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.82
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 79740221) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID79740221
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)ccc2F)nc1
InChIInChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)13-7-11(16)4-6-14(13)17/h3-7,9,15,19H,2,8H2,1H3
InChIKeySGTREHVTJFRJII-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-(2,5-dibromophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822341
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
[1-(4-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105280856
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
4-bromo-2-[2-(5-ethyl-2-pyridinyl)-1-hydrazinylethyl]aniline
CID 105263426
1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014806

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 79740221) is 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2cc(Br)ccc2F)nc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is SGTREHVTJFRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-10-3-5-12(18-9-10)8-15(19)13-7-11(16)4-6-14(13)17/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79740221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).