[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H16F3N3 — CID 79869055

IUPAC[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1N1CC2CCC1C2
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-4-2-9(6-17)12(18-11)19-7-8-1-3-10(19)5-8/h2,4,8,10H,1,3,5-7,17H2
InChIKeyKRKBGMLWFSXSSI-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.55
Rot. Bonds2

About [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79869055) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79869055
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1N1CC2CCC1C2
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-4-2-9(6-17)12(18-11)19-7-8-1-3-10(19)5-8/h2,4,8,10H,1,3,5-7,17H2
InChIKeyKRKBGMLWFSXSSI-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79869055) is [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1N1CC2CCC1C2.
What is the InChIKey of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KRKBGMLWFSXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)11-4-2-9(6-17)12(18-11)19-7-8-1-3-10(19)5-8/h2,4,8,10H,1,3,5-7,17H2.
What are the key properties of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 271.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79869055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).