5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine

C16H16N2 — CID 147597000

IUPAC5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H](Cc1cnc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C16H16N2/c1-12(14-5-3-2-4-6-14)9-13-10-15-7-8-17-16(15)18-11-13/h2-8,10-12H,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFZJPUVXPYXKXCA-GFCCVEGCSA-N
MW236.32 g/mol
LogP3.91
Rot. Bonds3

About 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine

5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 147597000) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID147597000
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H](Cc1cnc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C16H16N2/c1-12(14-5-3-2-4-6-14)9-13-10-15-7-8-17-16(15)18-11-13/h2-8,10-12H,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFZJPUVXPYXKXCA-GFCCVEGCSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine (CID 147597000) is 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine is C[C@H](Cc1cnc2[nH]ccc2c1)c1ccccc1.
What is the InChIKey of 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FZJPUVXPYXKXCA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(14-5-3-2-4-6-14)9-13-10-15-7-8-17-16(15)18-11-13/h2-8,10-12H,9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine?
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 236.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 147597000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).