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

C14H13BrFNO — CID 79701389

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-3-2-4-17-14(9)13(18)7-10-5-11(15)8-12(16)6-10/h2-6,8,13,18H,7H2,1H3
InChIKeyLYESQXCZMWXSAL-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol (PubChem CID 79701389) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
PubChem CID79701389
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-3-2-4-17-14(9)13(18)7-10-5-11(15)8-12(16)6-10/h2-6,8,13,18H,7H2,1H3
InChIKeyLYESQXCZMWXSAL-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 105406043
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
CID 155748395
CID 155748395
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol (CID 79701389) is 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is LYESQXCZMWXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-3-2-4-17-14(9)13(18)7-10-5-11(15)8-12(16)6-10/h2-6,8,13,18H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 310.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79701389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).