1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline

C15H13F3N2 — CID 59536278

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc(C2NCCc3ccccc32)cn1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)13-6-5-11(9-20-13)14-12-4-2-1-3-10(12)7-8-19-14/h1-6,9,14,19H,7-8H2
InChIKeyLZVYFOCVGHXYPX-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.34
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline

1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59536278) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID59536278
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc(C2NCCc3ccccc32)cn1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)13-6-5-11(9-20-13)14-12-4-2-1-3-10(12)7-8-19-14/h1-6,9,14,19H,7-8H2
InChIKeyLZVYFOCVGHXYPX-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline (CID 59536278) is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1ccc(C2NCCc3ccccc32)cn1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LZVYFOCVGHXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c16-15(17,18)13-6-5-11(9-20-13)14-12-4-2-1-3-10(12)7-8-19-14/h1-6,9,14,19H,7-8H2.
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline?
1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 278.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59536278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).