3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine

C11H13N3 — CID 59544107

IUPAC3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(C3CCNC3)c2c1
InChIInChI=1S/C11H13N3/c1-2-9-10(8-3-5-12-6-8)7-14-11(9)13-4-1/h1-2,4,7-8,12H,3,5-6H2,(H,13,14)
InChIKeyHEKMJEFECZLOIX-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.64
Rot. Bonds1

About 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine

3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59544107) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID59544107
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(C3CCNC3)c2c1
InChIInChI=1S/C11H13N3/c1-2-9-10(8-3-5-12-6-8)7-14-11(9)13-4-1/h1-2,4,7-8,12H,3,5-6H2,(H,13,14)
InChIKeyHEKMJEFECZLOIX-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 59544107) is 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(C3CCNC3)c2c1.
What is the InChIKey of 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HEKMJEFECZLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9-10(8-3-5-12-6-8)7-14-11(9)13-4-1/h1-2,4,7-8,12H,3,5-6H2,(H,13,14).
What are the key properties of 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 187.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59544107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).