1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol

C13H10ClF2NO — CID 105405774

IUPAC1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClF2NO/c14-13-2-1-9(7-17-13)12(18)5-8-3-10(15)6-11(16)4-8/h1-4,6-7,12,18H,5H2
InChIKeyGPVXJIUOVLJZOI-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.29
Rot. Bonds3

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

1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol (PubChem CID 105405774) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
PubChem CID105405774
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClF2NO/c14-13-2-1-9(7-17-13)12(18)5-8-3-10(15)6-11(16)4-8/h1-4,6-7,12,18H,5H2
InChIKeyGPVXJIUOVLJZOI-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

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanol
CID 103048307
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
2-(3,5-difluorophenyl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 105402605
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111757482
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol (CID 105405774) is 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol is OC(Cc1cc(F)cc(F)c1)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol?
The InChIKey is GPVXJIUOVLJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-13-2-1-9(7-17-13)12(18)5-8-3-10(15)6-11(16)4-8/h1-4,6-7,12,18H,5H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol?
1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)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 1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 105405774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).