5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine

C7H8N2 — CID 90924180

IUPAC5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=NC2N=CCC2=CC1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h2,4-5,7H,1,3H2
InChIKeyXYNKDGTVNZXETP-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.19
Rot. Bonds

About 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine

5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 90924180) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
PubChem CID90924180
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESC1=NC2N=CCC2=CC1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h2,4-5,7H,1,3H2
InChIKeyXYNKDGTVNZXETP-UHFFFAOYSA-N
XLogP1.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6a-Dihydropyrrolo[2,3-b]pyrrole
CID 91154870
4-Methyl-2,5-dihydropyridine
CID 56986892
4-Methyl-2,5-dihydropyridin-2-ylium
CID 57104481
3-Methyl-2,5-dihydropyridine
CID 57230847
3-Ethyl-2,5-dihydropyridine
CID 57245959
3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68634455
3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
CID 90746963
N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine
CID 123780876
4,7-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 123878789
3,5-dihydro-2H-pyrrolo[2,3-c]pyridine
CID 150870441
4,6-dideuterio-5H-pyrazolo[3,4-b]pyridine
CID 177761991

Frequently Asked Questions

What is the IUPAC name of 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (CID 90924180) is 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is C1=NC2N=CCC2=CC1.
What is the InChIKey of 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is XYNKDGTVNZXETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h2,4-5,7H,1,3H2.
What are the key properties of 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).