[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate

C18H21NO2 — CID 5236931

IUPAC[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate
SMILESCCc1cccc(CC)c1C(OC(C)=O)c1cccnc1
InChIInChI=1S/C18H21NO2/c1-4-14-8-6-9-15(5-2)17(14)18(21-13(3)20)16-10-7-11-19-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyBXIIIKMGHZXPIA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.86
Rot. Bonds5

About [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate

[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate (PubChem CID 5236931) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate.

Molecular Properties

Compound Name[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate
PubChem CID5236931
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate
SMILESCCc1cccc(CC)c1C(OC(C)=O)c1cccnc1
InChIInChI=1S/C18H21NO2/c1-4-14-8-6-9-15(5-2)17(14)18(21-13(3)20)16-10-7-11-19-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyBXIIIKMGHZXPIA-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(S)-(4-propan-2-ylphenyl)-pyridin-3-ylmethyl] acetate
CID 166439139
(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate
CID 122223702
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
[2-(2,4-dichlorophenoxy)-1-pyridin-3-ylbutyl] acetate
CID 19817142
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224

Frequently Asked Questions

What is the IUPAC name of [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate?
The IUPAC name of [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate (CID 5236931) is [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate.
What is the SMILES notation for [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate?
The canonical SMILES for [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate is CCc1cccc(CC)c1C(OC(C)=O)c1cccnc1.
What is the InChIKey of [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate?
The InChIKey is BXIIIKMGHZXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-14-8-6-9-15(5-2)17(14)18(21-13(3)20)16-10-7-11-19-12-16/h6-12,18H,4-5H2,1-3H3.
What are the key properties of [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate?
[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate has a molecular weight of 283.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate is sourced from PubChem (CID 5236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).