2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid

C15H17F3N2O2 — CID 151423212

IUPAC2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)n1)C2
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-2-11(19-12)10-8-14(9-10)4-6-20(7-5-14)13(21)22/h1-3,10H,4-9H2,(H,21,22)
InChIKeyPAZFPXQDXXDGPA-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.74
Rot. Bonds1

About 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid

2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 151423212) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID151423212
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)n1)C2
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-2-11(19-12)10-8-14(9-10)4-6-20(7-5-14)13(21)22/h1-3,10H,4-9H2,(H,21,22)
InChIKeyPAZFPXQDXXDGPA-UHFFFAOYSA-N
XLogP3.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 151423212) is 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)n1)C2.
What is the InChIKey of 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is PAZFPXQDXXDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)12-3-1-2-11(19-12)10-8-14(9-10)4-6-20(7-5-14)13(21)22/h1-3,10H,4-9H2,(H,21,22).
What are the key properties of 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid?
2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 314.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 151423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).