2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol

C14H13F2NO — CID 105081046

IUPAC2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-11(8-17-7-9)14(18)6-10-5-12(15)2-3-13(10)16/h2-5,7-8,14,18H,6H2,1H3
InChIKeyIIXCFRJUAPPAJL-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol

2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105081046) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105081046
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-11(8-17-7-9)14(18)6-10-5-12(15)2-3-13(10)16/h2-5,7-8,14,18H,6H2,1H3
InChIKeyIIXCFRJUAPPAJL-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527940
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
1-(5-methyl-3-pyridinyl)butane-1,4-diol
CID 106677884

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105081046) is 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)Cc2cc(F)ccc2F)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is IIXCFRJUAPPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-11(8-17-7-9)14(18)6-10-5-12(15)2-3-13(10)16/h2-5,7-8,14,18H,6H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 249.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105081046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).