ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate

C11H13Br2NO2 — CID 69353599

IUPACethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(Br)Br)ccc1CC
InChIInChI=1S/C11H13Br2NO2/c1-3-7-5-6-8(10(12)13)14-9(7)11(15)16-4-2/h5-6,10H,3-4H2,1-2H3
InChIKeyGZZXLKMGMCFOLT-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.61
Rot. Bonds4

About ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate

ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate (PubChem CID 69353599) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate
PubChem CID69353599
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Nameethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(Br)Br)ccc1CC
InChIInChI=1S/C11H13Br2NO2/c1-3-7-5-6-8(10(12)13)14-9(7)11(15)16-4-2/h5-6,10H,3-4H2,1-2H3
InChIKeyGZZXLKMGMCFOLT-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate 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 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 6-bromo-3-ethylquinoline-2-carboxylate
CID 11551308
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethyl 6-bromo-3-(3-methoxypropyl)pyridine-2-carboxylate
CID 158310028
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
CID 13349595
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 6-bromo-3-(bromomethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134671978

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate (CID 69353599) is ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate is CCOC(=O)c1nc(C(Br)Br)ccc1CC.
What is the InChIKey of ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate?
The InChIKey is GZZXLKMGMCFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-3-7-5-6-8(10(12)13)14-9(7)11(15)16-4-2/h5-6,10H,3-4H2,1-2H3.
What are the key properties of ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate?
ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate has a molecular weight of 351.04 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(dibromomethyl)-3-ethylpyridine-2-carboxylate is sourced from PubChem (CID 69353599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).