methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate

C11H11BrN2O2 — CID 171820201

IUPACmethyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCn1ccc2cc(Br)c(C(=O)OC)nc21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-5-4-7-6-8(12)9(11(15)16-2)13-10(7)14/h4-6H,3H2,1-2H3
InChIKeyADMJIDPVTJUALU-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.61
Rot. Bonds2

About methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate

methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 171820201) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID171820201
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Namemethyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCn1ccc2cc(Br)c(C(=O)OC)nc21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-5-4-7-6-8(12)9(11(15)16-2)13-10(7)14/h4-6H,3H2,1-2H3
InChIKeyADMJIDPVTJUALU-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate (CID 171820201) is methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate is CCn1ccc2cc(Br)c(C(=O)OC)nc21.
What is the InChIKey of methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is ADMJIDPVTJUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-14-5-4-7-6-8(12)9(11(15)16-2)13-10(7)14/h4-6H,3H2,1-2H3.
What are the key properties of methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate?
methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 283.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 171820201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).