6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C9H8N2O — CID 69478887

IUPAC6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#CC1=C2C=COCC2=CNC1
InChIInChI=1S/C9H8N2O/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h1-2,5,11H,4,6H2
InChIKeyLJIMQSDVYOTDRK-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.84
Rot. Bonds

About 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 69478887) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID69478887
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#CC1=C2C=COCC2=CNC1
InChIInChI=1S/C9H8N2O/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h1-2,5,11H,4,6H2
InChIKeyLJIMQSDVYOTDRK-UHFFFAOYSA-N
XLogP0.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 69478887) is 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is N#CC1=C2C=COCC2=CNC1.
What is the InChIKey of 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is LJIMQSDVYOTDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h1-2,5,11H,4,6H2.
What are the key properties of 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 69478887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).