6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane

C12H13F3N2 — CID 166003209

IUPAC6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)c1ccc(C23CCNCC2C3)nc1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)8-1-2-10(17-7-8)11-3-4-16-6-9(11)5-11/h1-2,7,9,16H,3-6H2
InChIKeyITQDATTZXHECDG-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.35
Rot. Bonds1

About 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane

6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 166003209) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
PubChem CID166003209
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)c1ccc(C23CCNCC2C3)nc1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)8-1-2-10(17-7-8)11-3-4-16-6-9(11)5-11/h1-2,7,9,16H,3-6H2
InChIKeyITQDATTZXHECDG-UHFFFAOYSA-N
XLogP2.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane (CID 166003209) is 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane is FC(F)(F)c1ccc(C23CCNCC2C3)nc1.
What is the InChIKey of 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is ITQDATTZXHECDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)8-1-2-10(17-7-8)11-3-4-16-6-9(11)5-11/h1-2,7,9,16H,3-6H2.
What are the key properties of 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane?
6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 242.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 166003209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).