[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol

C13H15ClF3NO — CID 106971520

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1CCCCC1
InChIInChI=1S/C13H15ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h6-8,11,19H,1-5H2
InChIKeyXLEHTMTUCFXXRG-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.37
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol (PubChem CID 106971520) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
PubChem CID106971520
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1CCCCC1
InChIInChI=1S/C13H15ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h6-8,11,19H,1-5H2
InChIKeyXLEHTMTUCFXXRG-UHFFFAOYSA-N
XLogP4.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.37
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-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
CID 106971988
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106972145
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106972022
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylethanol
CID 106972112
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol (CID 106971520) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol is OC(c1ccc(C(F)(F)F)nc1Cl)C1CCCCC1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol?
The InChIKey is XLEHTMTUCFXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h6-8,11,19H,1-5H2.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol has a molecular weight of 293.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol is sourced from PubChem (CID 106971520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).