1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride

C9H12Cl2F3N3 — CID 91623900

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H10F3N3.2ClH/c10-9(11,12)6-1-2-8(14-3-6)15-4-7(13)5-15;;/h1-3,7H,4-5,13H2;2*1H
InChIKeyPEXLFYXJJPEIBG-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.09
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride

1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride (PubChem CID 91623900) has the molecular formula C9H12Cl2F3N3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
PubChem CID91623900
Molecular FormulaC9H12Cl2F3N3
Molecular Weight290.12 g/mol
Exact Mass289.04
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H10F3N3.2ClH/c10-9(11,12)6-1-2-8(14-3-6)15-4-7(13)5-15;;/h1-3,7H,4-5,13H2;2*1H
InChIKeyPEXLFYXJJPEIBG-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
CID 121183769
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride (CID 91623900) is 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride is Cl.Cl.NC1CN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride?
The InChIKey is PEXLFYXJJPEIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3.2ClH/c10-9(11,12)6-1-2-8(14-3-6)15-4-7(13)5-15;;/h1-3,7H,4-5,13H2;2*1H.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride?
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride has a molecular weight of 290.12 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 91623900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).