1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine

C11H13N3 — CID 58970198

IUPAC1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine
SMILESCN1CC(n2ccc3ncccc32)C1
InChIInChI=1S/C11H13N3/c1-13-7-9(8-13)14-6-4-10-11(14)3-2-5-12-10/h2-6,9H,7-8H2,1H3
InChIKeyCSXIJEWUOPIPOE-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.52
Rot. Bonds1

About 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine

1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine (PubChem CID 58970198) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine
PubChem CID58970198
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine
SMILESCN1CC(n2ccc3ncccc32)C1
InChIInChI=1S/C11H13N3/c1-13-7-9(8-13)14-6-4-10-11(14)3-2-5-12-10/h2-6,9H,7-8H2,1H3
InChIKeyCSXIJEWUOPIPOE-UHFFFAOYSA-N
XLogP1.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine (CID 58970198) is 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine is CN1CC(n2ccc3ncccc32)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is CSXIJEWUOPIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-13-7-9(8-13)14-6-4-10-11(14)3-2-5-12-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine?
1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 187.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58970198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).