2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C7H10N2 — CID 89488248

IUPAC2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2=C(NC1)NCC2
InChIInChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,8-9H,3-5H2
InChIKeySXEZMTHLRUPLPW-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.35
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine

2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89488248) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89488248
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC2=C(NC1)NCC2
InChIInChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,8-9H,3-5H2
InChIKeySXEZMTHLRUPLPW-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 89488248) is 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine is C1=CC2=C(NC1)NCC2.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SXEZMTHLRUPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,8-9H,3-5H2.
What are the key properties of 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89488248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).