ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate

C12H16BrNO2 — CID 126615435

IUPACethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1c(C)nc(C)c(Br)c1C
InChIInChI=1S/C12H16BrNO2/c1-5-16-11(15)6-10-7(2)12(13)9(4)14-8(10)3/h5-6H2,1-4H3
InChIKeyDVMMHGCAQUGGJM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.87
Rot. Bonds3

About ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate

ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate (PubChem CID 126615435) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate
PubChem CID126615435
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Nameethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1c(C)nc(C)c(Br)c1C
InChIInChI=1S/C12H16BrNO2/c1-5-16-11(15)6-10-7(2)12(13)9(4)14-8(10)3/h5-6H2,1-4H3
InChIKeyDVMMHGCAQUGGJM-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134675939
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
CID 171006746
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate (CID 126615435) is ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate is CCOC(=O)Cc1c(C)nc(C)c(Br)c1C.
What is the InChIKey of ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate?
The InChIKey is DVMMHGCAQUGGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-5-16-11(15)6-10-7(2)12(13)9(4)14-8(10)3/h5-6H2,1-4H3.
What are the key properties of ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate?
ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate has a molecular weight of 286.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate is sourced from PubChem (CID 126615435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).