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

C14H13BrFNO — CID 105089166

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-11(8-17-7-9)14(18)5-10-2-3-12(15)6-13(10)16/h2-4,6-8,14,18H,5H2,1H3
InChIKeyMHXMMWUHHMCKHS-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105089166) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105089166
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-11(8-17-7-9)14(18)5-10-2-3-12(15)6-13(10)16/h2-4,6-8,14,18H,5H2,1H3
InChIKeyMHXMMWUHHMCKHS-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-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
CID 55096037
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105089166) is 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is MHXMMWUHHMCKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-4-11(8-17-7-9)14(18)5-10-2-3-12(15)6-13(10)16/h2-4,6-8,14,18H,5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-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-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105089166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).