5-methyl-3aH-pyrrolo[3,2-b]pyridine

C8H8N2 — CID 59199740

IUPAC5-methyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=CN=C2C=C1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,8H,1H3
InChIKeyKNKNJCFUOVVVGG-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.35
Rot. Bonds

About 5-methyl-3aH-pyrrolo[3,2-b]pyridine

5-methyl-3aH-pyrrolo[3,2-b]pyridine (PubChem CID 59199740) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 5-methyl-3aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-3aH-pyrrolo[3,2-b]pyridine
PubChem CID59199740
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name5-methyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=CN=C2C=C1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,8H,1H3
InChIKeyKNKNJCFUOVVVGG-UHFFFAOYSA-N
XLogP1.35
TPSA24.72 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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methyl-3aH-pyrrolo[3,2-b]pyridine (CID 59199740) is 5-methyl-3aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-3aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methyl-3aH-pyrrolo[3,2-b]pyridine is CC1=NC2C=CN=C2C=C1.
What is the InChIKey of 5-methyl-3aH-pyrrolo[3,2-b]pyridine?
The InChIKey is KNKNJCFUOVVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,8H,1H3.
What are the key properties of 5-methyl-3aH-pyrrolo[3,2-b]pyridine?
5-methyl-3aH-pyrrolo[3,2-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59199740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).