3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

C16H15F3N2O2 — CID 78110101

IUPAC3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESOC1CC(c2cc(C(F)(F)F)ccn2)(C(O)c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)10-4-6-21-13(7-10)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2
InChIKeyPIBOLMYMGLUITA-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.62
Rot. Bonds3

About 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (PubChem CID 78110101) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
PubChem CID78110101
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESOC1CC(c2cc(C(F)(F)F)ccn2)(C(O)c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)10-4-6-21-13(7-10)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2
InChIKeyPIBOLMYMGLUITA-UHFFFAOYSA-N
XLogP2.62
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (CID 78110101) is 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is OC1CC(c2cc(C(F)(F)F)ccn2)(C(O)c2ccccn2)C1.
What is the InChIKey of 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is PIBOLMYMGLUITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)10-4-6-21-13(7-10)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2.
What are the key properties of 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 324.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 78110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).