2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C12H15N3 — CID 24758163

IUPAC2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1
InChIInChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15)/t10-/m1/s1
InChIKeyMVQHAOQHZJARGP-SNVBAGLBSA-N
MW201.27 g/mol
LogP1.86
Rot. Bonds2

About 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24758163) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID24758163
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1
InChIInChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15)/t10-/m1/s1
InChIKeyMVQHAOQHZJARGP-SNVBAGLBSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 24758163) is 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(C[C@H]3CCCN3)cc2c1.
What is the InChIKey of 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVQHAOQHZJARGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24758163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).