pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol

C16H15F3N2O — CID 71522898

IUPACpyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol
SMILESOC(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CNC1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)12-6-4-11(5-7-12)15(9-20-10-15)14(22)13-3-1-2-8-21-13/h1-8,14,20,22H,9-10H2
InChIKeySKBQMWXTLFUJNU-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.67
Rot. Bonds3

About pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol

pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol (PubChem CID 71522898) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol
PubChem CID71522898
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Namepyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol
SMILESOC(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CNC1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)12-6-4-11(5-7-12)15(9-20-10-15)14(22)13-3-1-2-8-21-13/h1-8,14,20,22H,9-10H2
InChIKeySKBQMWXTLFUJNU-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol?
The IUPAC name of pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol (CID 71522898) is pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol?
The canonical SMILES for pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol is OC(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CNC1.
What is the InChIKey of pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol?
The InChIKey is SKBQMWXTLFUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)12-6-4-11(5-7-12)15(9-20-10-15)14(22)13-3-1-2-8-21-13/h1-8,14,20,22H,9-10H2.
What are the key properties of pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol?
pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol has a molecular weight of 308.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[3-[4-(trifluoromethyl)phenyl]azetidin-3-yl]methanol is sourced from PubChem (CID 71522898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).