2,5-dihydro-1H-pyrrolo[3,4-b]pyridine

C7H8N2 — CID 68824908

IUPAC2,5-dihydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2=C(C=NC2)NC1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,5,9H,3-4H2
InChIKeyLNULQONSGFLJTD-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.48
Rot. Bonds

About 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine

2,5-dihydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 68824908) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID68824908
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2,5-dihydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1=CC2=C(C=NC2)NC1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,5,9H,3-4H2
InChIKeyLNULQONSGFLJTD-UHFFFAOYSA-N
XLogP0.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine (CID 68824908) is 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine is C1=CC2=C(C=NC2)NC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is LNULQONSGFLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-2,5,9H,3-4H2.
What are the key properties of 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine?
2,5-dihydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 68824908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).