ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

C11H11BrN2O2 — CID 91759072

IUPACethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6(2)14-10-8(9)4-7(12)5-13-10/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyWLEIEJQELJWMCW-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.81
Rot. Bonds2

About ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 91759072) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID91759072
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Nameethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6(2)14-10-8(9)4-7(12)5-13-10/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyWLEIEJQELJWMCW-UHFFFAOYSA-N
XLogP2.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CID 91759072) is ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c2ncc(Br)cc12.
What is the InChIKey of ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is WLEIEJQELJWMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6(2)14-10-8(9)4-7(12)5-13-10/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 283.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 91759072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).