(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol

C14H18F3NO2 — CID 105121215

IUPAC(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1cncc(C(O)C2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO2/c1-20-12-6-10(7-18-8-12)13(19)9-3-2-4-11(5-9)14(15,16)17/h6-9,11,13,19H,2-5H2,1H3
InChIKeyQDADLVGPCBSWEU-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.49
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol

(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105121215) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105121215
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1cncc(C(O)C2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO2/c1-20-12-6-10(7-18-8-12)13(19)9-3-2-4-11(5-9)14(15,16)17/h6-9,11,13,19H,2-5H2,1H3
InChIKeyQDADLVGPCBSWEU-UHFFFAOYSA-N
XLogP3.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
(5-methoxy-3-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680797
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105095256
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105102442
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105286260
(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
CID 115828844
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173991

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105121215) is (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol is COc1cncc(C(O)C2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is QDADLVGPCBSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-20-12-6-10(7-18-8-12)13(19)9-3-2-4-11(5-9)14(15,16)17/h6-9,11,13,19H,2-5H2,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 289.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105121215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).