2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol

C13H11ClFNO — CID 103047540

IUPAC2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccncc1
InChIInChI=1S/C13H11ClFNO/c14-11-1-2-12(15)10(7-11)8-13(17)9-3-5-16-6-4-9/h1-7,13,17H,8H2
InChIKeyQNBSCJFOBUAGIE-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol

2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol (PubChem CID 103047540) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
PubChem CID103047540
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccncc1
InChIInChI=1S/C13H11ClFNO/c14-11-1-2-12(15)10(7-11)8-13(17)9-3-5-16-6-4-9/h1-7,13,17H,8H2
InChIKeyQNBSCJFOBUAGIE-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 103053503
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218
2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol
CID 103048307
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol (CID 103047540) is 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol is OC(Cc1cc(Cl)ccc1F)c1ccncc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol?
The InChIKey is QNBSCJFOBUAGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-1-2-12(15)10(7-11)8-13(17)9-3-5-16-6-4-9/h1-7,13,17H,8H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol?
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol has a molecular weight of 251.69 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 103047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).