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

C10H9BrN2O2 — CID 154628918

IUPACmethyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1nc2ccn(C)c2cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-13-4-3-7-8(13)5-6(11)9(12-7)10(14)15-2/h3-5H,1-2H3
InChIKeyYBQWMWMZISTOHG-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.12
Rot. Bonds1

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

methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate (PubChem CID 154628918) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate
PubChem CID154628918
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1nc2ccn(C)c2cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-13-4-3-7-8(13)5-6(11)9(12-7)10(14)15-2/h3-5H,1-2H3
InChIKeyYBQWMWMZISTOHG-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate (CID 154628918) is methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate is COC(=O)c1nc2ccn(C)c2cc1Br.
What is the InChIKey of methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate?
The InChIKey is YBQWMWMZISTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-4-3-7-8(13)5-6(11)9(12-7)10(14)15-2/h3-5H,1-2H3.
What are the key properties of methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate?
methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-1-methylpyrrolo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 154628918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).