[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol

C13H15F3N2O — CID 114490322

IUPAC[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c1-9-6-10(8-19)7-17-12(9)18-4-2-11(3-5-18)13(14,15)16/h2,6-7,19H,3-5,8H2,1H3
InChIKeyIAGZYLCZLMNISQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.58
Rot. Bonds2

About [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol

[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol (PubChem CID 114490322) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
PubChem CID114490322
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c1-9-6-10(8-19)7-17-12(9)18-4-2-11(3-5-18)13(14,15)16/h2,6-7,19H,3-5,8H2,1H3
InChIKeyIAGZYLCZLMNISQ-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
CID 114411439
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412388
[5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 80628917
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617
5-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114490010
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
4-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]piperazine-2,6-dione
CID 80629400
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine
CID 114489491

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol (CID 114490322) is [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
The InChIKey is IAGZYLCZLMNISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-6-10(8-19)7-17-12(9)18-4-2-11(3-5-18)13(14,15)16/h2,6-7,19H,3-5,8H2,1H3.
What are the key properties of [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol?
[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol has a molecular weight of 272.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 114490322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).