1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C13H10ClF2NO — CID 83124846

IUPAC1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c1-13(18,12-5-3-9(15)7-17-12)10-4-2-8(14)6-11(10)16/h2-7,18H,1H3
InChIKeyQZORWHJTTBJCSQ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.27
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83124846) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83124846
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c1-13(18,12-5-3-9(15)7-17-12)10-4-2-8(14)6-11(10)16/h2-7,18H,1H3
InChIKeyQZORWHJTTBJCSQ-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
CID 58392419
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124686
1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124942
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124620
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707464
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401188
1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125413
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 83124846) is 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is CC(O)(c1ccc(F)cn1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is QZORWHJTTBJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-13(18,12-5-3-9(15)7-17-12)10-4-2-8(14)6-11(10)16/h2-7,18H,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 269.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).