6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane

C13H14ClF3N2 — CID 175919334

IUPAC6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(CC2CC3(CNC3)C2)nc1Cl
InChIInChI=1S/C13H14ClF3N2/c14-11-10(13(15,16)17)2-1-9(19-11)3-8-4-12(5-8)6-18-7-12/h1-2,8,18H,3-7H2
InChIKeyRSHAALRWSOLEMC-UHFFFAOYSA-N
MW290.72 g/mol
LogP3.30
Rot. Bonds2

About 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane

6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 175919334) has the molecular formula C13H14ClF3N2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
PubChem CID175919334
Molecular FormulaC13H14ClF3N2
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(CC2CC3(CNC3)C2)nc1Cl
InChIInChI=1S/C13H14ClF3N2/c14-11-10(13(15,16)17)2-1-9(19-11)3-8-4-12(5-8)6-18-7-12/h1-2,8,18H,3-7H2
InChIKeyRSHAALRWSOLEMC-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane (CID 175919334) is 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane is FC(F)(F)c1ccc(CC2CC3(CNC3)C2)nc1Cl.
What is the InChIKey of 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is RSHAALRWSOLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2/c14-11-10(13(15,16)17)2-1-9(19-11)3-8-4-12(5-8)6-18-7-12/h1-2,8,18H,3-7H2.
What are the key properties of 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 290.72 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 175919334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).