dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate

C10H8Br3CuNO2S — CID 159666446

IUPACdibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
SMILESBr[Cu]Br.CCOC(=O)c1sc2ncccc2c1Br
InChIInChI=1S/C10H8BrNO2S.2BrH.Cu/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8;;;/h3-5H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyMTLRNHUTLVPCOF-UHFFFAOYSA-L
MW509.50 g/mol
LogP4.92
Rot. Bonds2

About dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate

dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate (PubChem CID 159666446) has the molecular formula C10H8Br3CuNO2S and a molecular weight of 509.50 g/mol. Its IUPAC name is dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namedibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
PubChem CID159666446
Molecular FormulaC10H8Br3CuNO2S
Molecular Weight509.50 g/mol
Exact Mass505.71
IUPAC Namedibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
SMILESBr[Cu]Br.CCOC(=O)c1sc2ncccc2c1Br
InChIInChI=1S/C10H8BrNO2S.2BrH.Cu/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8;;;/h3-5H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyMTLRNHUTLVPCOF-UHFFFAOYSA-L
XLogP4.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-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 3-bromo-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 59279785
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10017665
methyl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 69220215
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 54223216
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
CID 16763566
ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891

Frequently Asked Questions

What is the IUPAC name of dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate (CID 159666446) is dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate is Br[Cu]Br.CCOC(=O)c1sc2ncccc2c1Br.
What is the InChIKey of dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MTLRNHUTLVPCOF-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8BrNO2S.2BrH.Cu/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8;;;/h3-5H,2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate?
dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 509.50 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 159666446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).