6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid

C14H15F3N2O2 — CID 122160551

IUPAC6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CN(c2ncccc2C(F)(F)F)CC12CCC2
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-1-6-18-11(9)19-7-10(12(20)21)13(8-19)4-2-5-13/h1,3,6,10H,2,4-5,7-8H2,(H,20,21)
InChIKeyFXCGCBVAPYKWLR-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.79
Rot. Bonds2

About 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid

6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 122160551) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID122160551
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CN(c2ncccc2C(F)(F)F)CC12CCC2
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-1-6-18-11(9)19-7-10(12(20)21)13(8-19)4-2-5-13/h1,3,6,10H,2,4-5,7-8H2,(H,20,21)
InChIKeyFXCGCBVAPYKWLR-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid (CID 122160551) is 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid is O=C(O)C1CN(c2ncccc2C(F)(F)F)CC12CCC2.
What is the InChIKey of 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is FXCGCBVAPYKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-1-6-18-11(9)19-7-10(12(20)21)13(8-19)4-2-5-13/h1,3,6,10H,2,4-5,7-8H2,(H,20,21).
What are the key properties of 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid?
6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 300.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)-2-pyridinyl]-6-azaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 122160551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).