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

C8H7BrN2 — CID 11229587

IUPAC3-bromo-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2cccnc21
InChIInChI=1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
InChIKeyGBHFSEKDEABVOP-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.34
Rot. Bonds

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

3-bromo-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 11229587) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-methylpyrrolo[2,3-b]pyridine
PubChem CID11229587
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name3-bromo-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2cccnc21
InChIInChI=1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
InChIKeyGBHFSEKDEABVOP-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-1-methylpyrrolo[2,3-b]pyridine (CID 11229587) is 3-bromo-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(Br)c2cccnc21.
What is the InChIKey of 3-bromo-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is GBHFSEKDEABVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3.
What are the key properties of 3-bromo-1-methylpyrrolo[2,3-b]pyridine?
3-bromo-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 211.06 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11229587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).