2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C13H10ClF2NO — CID 112653500

IUPAC2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H10ClF2NO/c14-13-8(2-1-3-10(13)16)6-12(18)11-5-4-9(15)7-17-11/h1-5,7,12,18H,6H2
InChIKeyMLJCLLLTVBIARB-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.29
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 112653500) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID112653500
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H10ClF2NO/c14-13-8(2-1-3-10(13)16)6-12(18)11-5-4-9(15)7-17-11/h1-5,7,12,18H,6H2
InChIKeyMLJCLLLTVBIARB-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113393957
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 112653500) is 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1cccc(F)c1Cl)c1ccc(F)cn1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is MLJCLLLTVBIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-13-8(2-1-3-10(13)16)6-12(18)11-5-4-9(15)7-17-11/h1-5,7,12,18H,6H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 269.68 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 112653500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).