6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile

C6H6N2O — CID 67480004

IUPAC6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile
SMILESN#CC1=CCNC(=O)C1
InChIInChI=1S/C6H6N2O/c7-4-5-1-2-8-6(9)3-5/h1H,2-3H2,(H,8,9)
InChIKeyRXIKTVACNXLUMM-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.04
Rot. Bonds

About 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile

6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile (PubChem CID 67480004) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile
PubChem CID67480004
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile
SMILESN#CC1=CCNC(=O)C1
InChIInChI=1S/C6H6N2O/c7-4-5-1-2-8-6(9)3-5/h1H,2-3H2,(H,8,9)
InChIKeyRXIKTVACNXLUMM-UHFFFAOYSA-N
XLogP-0.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile?
The IUPAC name of 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile (CID 67480004) is 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile?
The canonical SMILES for 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile is N#CC1=CCNC(=O)C1.
What is the InChIKey of 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile?
The InChIKey is RXIKTVACNXLUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c7-4-5-1-2-8-6(9)3-5/h1H,2-3H2,(H,8,9).
What are the key properties of 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile?
6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2,5-dihydro-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 67480004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).