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

C7H6N2 — CID 58286487

IUPAC3aH-pyrrolo[2,3-b]pyridine
SMILESC1=CC2C=CN=C2N=C1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-6H
InChIKeyDLZMSTJCHWZKIK-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.17
Rot. Bonds

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

3aH-pyrrolo[2,3-b]pyridine (PubChem CID 58286487) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3aH-pyrrolo[2,3-b]pyridine
PubChem CID58286487
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name3aH-pyrrolo[2,3-b]pyridine
SMILESC1=CC2C=CN=C2N=C1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-6H
InChIKeyDLZMSTJCHWZKIK-UHFFFAOYSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3aH-pyrrolo[2,3-b]pyridine (CID 58286487) is 3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3aH-pyrrolo[2,3-b]pyridine is C1=CC2C=CN=C2N=C1.
What is the InChIKey of 3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is DLZMSTJCHWZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-6H.
What are the key properties of 3aH-pyrrolo[2,3-b]pyridine?
3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 118.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).