2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol

C13H10Cl2FNO — CID 103048307

IUPAC2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc(Cl)nc1
InChIInChI=1S/C13H10Cl2FNO/c14-10-2-3-11(16)9(5-10)6-12(18)8-1-4-13(15)17-7-8/h1-5,7,12,18H,6H2
InChIKeyKJSXYDSQQHPPHB-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.80
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol (PubChem CID 103048307) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol
PubChem CID103048307
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc(Cl)nc1
InChIInChI=1S/C13H10Cl2FNO/c14-10-2-3-11(16)9(5-10)6-12(18)8-1-4-13(15)17-7-8/h1-5,7,12,18H,6H2
InChIKeyKJSXYDSQQHPPHB-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
CID 105405774
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540
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-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 114851952
2-(5-chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol (CID 103048307) is 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol is OC(Cc1cc(Cl)ccc1F)c1ccc(Cl)nc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol?
The InChIKey is KJSXYDSQQHPPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-10-2-3-11(16)9(5-10)6-12(18)8-1-4-13(15)17-7-8/h1-5,7,12,18H,6H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol has a molecular weight of 286.13 g/mol, XLogP of 3.80, 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-(6-chloro-3-pyridinyl)ethanol is sourced from PubChem (CID 103048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).