2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate

C15H16F3N2O2- — CID 152646711

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-2-12(19-9-11)10-7-14(8-10)3-5-20(6-4-14)13(21)22/h1-2,9-10H,3-8H2,(H,21,22)/p-1
InChIKeyZGRQJGCALVZUQB-UHFFFAOYSA-M
MW313.30 g/mol
LogP2.40
Rot. Bonds1

About 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate

2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 152646711) has the molecular formula C15H16F3N2O2- and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID152646711
Molecular FormulaC15H16F3N2O2-
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-2-12(19-9-11)10-7-14(8-10)3-5-20(6-4-14)13(21)22/h1-2,9-10H,3-8H2,(H,21,22)/p-1
InChIKeyZGRQJGCALVZUQB-UHFFFAOYSA-M
XLogP2.40
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 86641403
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 154244901
2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 151261329
2-[6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 151423212
spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264157
2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine
CID 71302276
N-pyridin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 57391077
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
CID 71651587
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 169104850
[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2-(5-fluoro-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135237395
(2,2-dichloro-1-methylcyclopropyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 51163234
1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92616487

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate (CID 152646711) is 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate is O=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZGRQJGCALVZUQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-2-12(19-9-11)10-7-14(8-10)3-5-20(6-4-14)13(21)22/h1-2,9-10H,3-8H2,(H,21,22)/p-1.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 313.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 152646711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).