2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

C13H12N2 — CID 84720759

IUPAC2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESc1ccc(-c2ccc3c(n2)CNC3)cc1
InChIInChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-7-6-11-8-14-9-13(11)15-12/h1-7,14H,8-9H2
InChIKeyPLTRLHHLLGBLQT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds1

About 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (PubChem CID 84720759) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
PubChem CID84720759
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESc1ccc(-c2ccc3c(n2)CNC3)cc1
InChIInChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-7-6-11-8-14-9-13(11)15-12/h1-7,14H,8-9H2
InChIKeyPLTRLHHLLGBLQT-UHFFFAOYSA-N
XLogP2.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CID 84720759) is 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is c1ccc(-c2ccc3c(n2)CNC3)cc1.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The InChIKey is PLTRLHHLLGBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-7-6-11-8-14-9-13(11)15-12/h1-7,14H,8-9H2.
What are the key properties of 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine has a molecular weight of 196.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 84720759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).