[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine

C10H12F3N3 — CID 15346862

IUPAC[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-5-7(4-14)6-16/h1-3,7H,4-6,14H2
InChIKeyVJIJAZRYVIZATG-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.50
Rot. Bonds2

About [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine

[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine (PubChem CID 15346862) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine
PubChem CID15346862
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-5-7(4-14)6-16/h1-3,7H,4-6,14H2
InChIKeyVJIJAZRYVIZATG-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine (CID 15346862) is [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine is NCC1CN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine?
The InChIKey is VJIJAZRYVIZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-5-7(4-14)6-16/h1-3,7H,4-6,14H2.
What are the key properties of [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine?
[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine is sourced from PubChem (CID 15346862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).