3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol

C12H15F3N2O — CID 177367966

IUPAC3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7-11(12(13,14)15)3-2-8(17-7)6-16-9-4-10(18)5-9/h2-3,9-10,16,18H,4-6H2,1H3
InChIKeyZVBWXMNRRUWCDG-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.02
Rot. Bonds3

About 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol

3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol (PubChem CID 177367966) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol
PubChem CID177367966
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7-11(12(13,14)15)3-2-8(17-7)6-16-9-4-10(18)5-9/h2-3,9-10,16,18H,4-6H2,1H3
InChIKeyZVBWXMNRRUWCDG-UHFFFAOYSA-N
XLogP2.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol (CID 177367966) is 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol is Cc1nc(CNC2CC(O)C2)ccc1C(F)(F)F.
What is the InChIKey of 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol?
The InChIKey is ZVBWXMNRRUWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7-11(12(13,14)15)3-2-8(17-7)6-16-9-4-10(18)5-9/h2-3,9-10,16,18H,4-6H2,1H3.
What are the key properties of 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol?
3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclobutan-1-ol is sourced from PubChem (CID 177367966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).