1-methylpyrrolo[2,3-b]pyridine

C8H8N2 — CID 583068

IUPAC1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cccnc21
InChIInChI=1S/C8H8N2/c1-10-6-4-7-3-2-5-9-8(7)10/h2-6H,1H3
InChIKeyZVOCBNCKNQJAFL-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.57
Rot. Bonds

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

1-methylpyrrolo[2,3-b]pyridine (PubChem CID 583068) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methylpyrrolo[2,3-b]pyridine
PubChem CID583068
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cccnc21
InChIInChI=1S/C8H8N2/c1-10-6-4-7-3-2-5-9-8(7)10/h2-6H,1H3
InChIKeyZVOCBNCKNQJAFL-UHFFFAOYSA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methylpyrrolo[2,3-b]pyridine (CID 583068) is 1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methylpyrrolo[2,3-b]pyridine is Cn1ccc2cccnc21.
What is the InChIKey of 1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is ZVOCBNCKNQJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-6-4-7-3-2-5-9-8(7)10/h2-6H,1H3.
What are the key properties of 1-methylpyrrolo[2,3-b]pyridine?
1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 583068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).