2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol

C13H17Cl2NO — CID 79780362

IUPAC2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(CC1CCCCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-7-11(15)13(16-8-10)12(17)6-9-4-2-1-3-5-9/h7-9,12,17H,1-6H2
InChIKeyULTGULOXZBULHJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.39
Rot. Bonds3

About 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol

2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol (PubChem CID 79780362) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol
PubChem CID79780362
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(CC1CCCCC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-7-11(15)13(16-8-10)12(17)6-9-4-2-1-3-5-9/h7-9,12,17H,1-6H2
InChIKeyULTGULOXZBULHJ-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol (CID 79780362) is 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol is OC(CC1CCCCC1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol?
The InChIKey is ULTGULOXZBULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-7-11(15)13(16-8-10)12(17)6-9-4-2-1-3-5-9/h7-9,12,17H,1-6H2.
What are the key properties of 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol?
2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol has a molecular weight of 274.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 79780362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).