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

C10H9BrN2O2 — CID 11402946

IUPACmethyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)c(Br)c2cccnc21
InChIInChI=1S/C10H9BrN2O2/c1-6-8(11)7-4-3-5-12-9(7)13(6)10(14)15-2/h3-5H,1-2H3
InChIKeyCLZAXJNDTFZEEO-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.72
Rot. Bonds

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

methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 11402946) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID11402946
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)c(Br)c2cccnc21
InChIInChI=1S/C10H9BrN2O2/c1-6-8(11)7-4-3-5-12-9(7)13(6)10(14)15-2/h3-5H,1-2H3
InChIKeyCLZAXJNDTFZEEO-UHFFFAOYSA-N
XLogP2.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (CID 11402946) is methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is COC(=O)n1c(C)c(Br)c2cccnc21.
What is the InChIKey of methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is CLZAXJNDTFZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-8(11)7-4-3-5-12-9(7)13(6)10(14)15-2/h3-5H,1-2H3.
What are the key properties of methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 11402946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).