3-methyl-3aH-pyrrolo[2,3-c]pyridine

C8H8N2 — CID 165375337

IUPAC3-methyl-3aH-pyrrolo[2,3-c]pyridine
SMILESCC1=CN=C2C=NC=CC12
InChIInChI=1S/C8H8N2/c1-6-4-10-8-5-9-3-2-7(6)8/h2-5,7H,1H3
InChIKeyCJCHVTQFTDGJCE-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.56
Rot. Bonds

About 3-methyl-3aH-pyrrolo[2,3-c]pyridine

3-methyl-3aH-pyrrolo[2,3-c]pyridine (PubChem CID 165375337) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-3aH-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-3aH-pyrrolo[2,3-c]pyridine
PubChem CID165375337
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-3aH-pyrrolo[2,3-c]pyridine
SMILESCC1=CN=C2C=NC=CC12
InChIInChI=1S/C8H8N2/c1-6-4-10-8-5-9-3-2-7(6)8/h2-5,7H,1H3
InChIKeyCJCHVTQFTDGJCE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3aH-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-methyl-3aH-pyrrolo[2,3-c]pyridine (CID 165375337) is 3-methyl-3aH-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-methyl-3aH-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-methyl-3aH-pyrrolo[2,3-c]pyridine is CC1=CN=C2C=NC=CC12.
What is the InChIKey of 3-methyl-3aH-pyrrolo[2,3-c]pyridine?
The InChIKey is CJCHVTQFTDGJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-4-10-8-5-9-3-2-7(6)8/h2-5,7H,1H3.
What are the key properties of 3-methyl-3aH-pyrrolo[2,3-c]pyridine?
3-methyl-3aH-pyrrolo[2,3-c]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3aH-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 165375337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).