2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol

C15H17ClF3NO — CID 106972022

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H17ClF3NO/c16-14-11(3-4-13(20-14)15(17,18)19)12(21)7-10-6-8-1-2-9(10)5-8/h3-4,8-10,12,21H,1-2,5-7H2
InChIKeyLUWGVGOAWMITTL-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 106972022) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID106972022
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H17ClF3NO/c16-14-11(3-4-13(20-14)15(17,18)19)12(21)7-10-6-8-1-2-9(10)5-8/h3-4,8-10,12,21H,1-2,5-7H2
InChIKeyLUWGVGOAWMITTL-UHFFFAOYSA-N
XLogP4.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.61
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-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-3,4-dimethoxyphenyl)ethanol
CID 79561405
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102842439
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 61087143
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790580
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
CID 106971988
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
CID 106972080

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol (CID 106972022) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol is OC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is LUWGVGOAWMITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO/c16-14-11(3-4-13(20-14)15(17,18)19)12(21)7-10-6-8-1-2-9(10)5-8/h3-4,8-10,12,21H,1-2,5-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 319.75 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 106972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).