2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde

C16H19F3N2O2 — CID 169002510

IUPAC2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde
SMILESCc1cc(C(F)(F)F)cnc1OC1CC2(CCN(C=O)CC2)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-6-12(16(17,18)19)9-20-14(11)23-13-7-15(8-13)2-4-21(10-22)5-3-15/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyJEJRAQZKRQBPFD-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.19
Rot. Bonds3

About 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde

2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde (PubChem CID 169002510) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde.

Molecular Properties

Compound Name2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde
PubChem CID169002510
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde
SMILESCc1cc(C(F)(F)F)cnc1OC1CC2(CCN(C=O)CC2)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-6-12(16(17,18)19)9-20-14(11)23-13-7-15(8-13)2-4-21(10-22)5-3-15/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyJEJRAQZKRQBPFD-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989
3-fluoro-5-methyl-2-(7-oxaspiro[3.5]nonan-2-yloxy)pyridine
CID 126954115
5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine
CID 170179115
7-[3-methyl-4-(trifluoromethyl)phenoxy]-2-azaspiro[3.5]nonane-2-carbaldehyde
CID 169002471
[7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710279
[7-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710187
[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826461
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
7-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane
CID 139504363
(1R,5S)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 118120716
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459857
[2-pyrrolidin-3-yloxy-5-(trifluoromethyl)-3-pyridinyl] 2,2,2-trifluoroacetate
CID 166004474

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde?
The IUPAC name of 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde (CID 169002510) is 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde.
What is the SMILES notation for 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde?
The canonical SMILES for 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde is Cc1cc(C(F)(F)F)cnc1OC1CC2(CCN(C=O)CC2)C1.
What is the InChIKey of 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde?
The InChIKey is JEJRAQZKRQBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-11-6-12(16(17,18)19)9-20-14(11)23-13-7-15(8-13)2-4-21(10-22)5-3-15/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde?
2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde has a molecular weight of 328.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carbaldehyde is sourced from PubChem (CID 169002510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).