2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C7H10N2 — CID 90986067

IUPAC2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C2CCNC2=NCC1
InChIInChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h2H,1,3-5H2,(H,8,9)
InChIKeyQMGYARQUFWSWND-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.71
Rot. Bonds

About 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90986067) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID90986067
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C2CCNC2=NCC1
InChIInChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h2H,1,3-5H2,(H,8,9)
InChIKeyQMGYARQUFWSWND-UHFFFAOYSA-N
XLogP0.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5-Tetrahydropyrrolo[2,3-b]pyrrole
CID 90889111
5-bromo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 68344052
5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89260422
5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89270361
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine;molecular hydrogen
CID 144066620
N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075907
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 144066621

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 90986067) is 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is C1=C2CCNC2=NCC1.
What is the InChIKey of 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QMGYARQUFWSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h2H,1,3-5H2,(H,8,9).
What are the key properties of 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90986067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).