ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate

C11H12BrN3O2S — CID 56806582

IUPACethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H12BrN3O2S/c1-2-17-10(16)6-18-5-9-14-8-3-7(12)4-13-11(8)15-9/h3-4H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyNTUZFPBWPJPLIG-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate

ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate (PubChem CID 56806582) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate
PubChem CID56806582
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Nameethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H12BrN3O2S/c1-2-17-10(16)6-18-5-9-14-8-3-7(12)4-13-11(8)15-9/h3-4H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyNTUZFPBWPJPLIG-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]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-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]acetate
CID 665339
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 3-methylbutanoate
CID 56805941
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
CID 140638351
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 2-(3-bromo-4-methylphenyl)acetate
CID 86804807
ethyl 2-[(5-bromo-3-pyridinyl)methylsulfanyl]acetate
CID 115580522
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
CID 68756865
ethyl 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]acetate
CID 54172080
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66002551
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetate
CID 43840163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate (CID 56806582) is ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate?
The InChIKey is NTUZFPBWPJPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-2-17-10(16)6-18-5-9-14-8-3-7(12)4-13-11(8)15-9/h3-4H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate?
ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate has a molecular weight of 330.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate is sourced from PubChem (CID 56806582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).