(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C16H23NO2 — CID 105134922

IUPAC(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(C)n1
InChIInChI=1S/C16H23NO2/c1-10-7-8-12(11(2)17-10)14(18)13-9-15(3,4)19-16(13,5)6/h7-8,13H,9H2,1-6H3
InChIKeyFQYTWFXJAPCWOY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.47
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 105134922) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID105134922
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(C)n1
InChIInChI=1S/C16H23NO2/c1-10-7-8-12(11(2)17-10)14(18)13-9-15(3,4)19-16(13,5)6/h7-8,13H,9H2,1-6H3
InChIKeyFQYTWFXJAPCWOY-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dimethyl-2-(1-methylethyl)-3-pyridinyl)-1-propanone
CID 21629200
(2-Hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 174433135
3-Hydroxy-2,4,4-trimethyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]hexan-1-one
CID 174447087
1-(2,6-Dimethyl-3-pyridinyl)-2-methylpropan-1-one
CID 11030369
Ethyl 2-ethylseleno-6-methylnicotinoylacetate
CID 129784871
2-Ethylseleno-6-methylnicotinoylacetic acid
CID 129785305
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-ethyloxolan-3-yl)methanone
CID 105743934
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 106971888
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyloxolan-3-yl)methanone
CID 113899569
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(oxolan-3-yl)methanone
CID 113899574
[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methyloxolan-3-yl)methanone
CID 113899576
(6-Fluoro-2-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943849

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 105134922) is (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is Cc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is FQYTWFXJAPCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-7-8-12(11(2)17-10)14(18)13-9-15(3,4)19-16(13,5)6/h7-8,13H,9H2,1-6H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 105134922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).