2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile

C8H7N3 — CID 130056871

IUPAC2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile
SMILESN#Cc1nccc2c1CNC2
InChIInChI=1S/C8H7N3/c9-3-8-7-5-10-4-6(7)1-2-11-8/h1-2,10H,4-5H2
InChIKeyGRULHRSURWYYKD-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.56
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile

2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile (PubChem CID 130056871) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile
PubChem CID130056871
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile
SMILESN#Cc1nccc2c1CNC2
InChIInChI=1S/C8H7N3/c9-3-8-7-5-10-4-6(7)1-2-11-8/h1-2,10H,4-5H2
InChIKeyGRULHRSURWYYKD-UHFFFAOYSA-N
XLogP0.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile (CID 130056871) is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile is N#Cc1nccc2c1CNC2.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile?
The InChIKey is GRULHRSURWYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-3-8-7-5-10-4-6(7)1-2-11-8/h1-2,10H,4-5H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile?
2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carbonitrile is sourced from PubChem (CID 130056871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).