3-amino-2-oxo-3H-pyridine-6-carbonitrile

C6H5N3O — CID 178188837

IUPAC3-amino-2-oxo-3H-pyridine-6-carbonitrile
SMILESN#CC1=NC(=O)C(N)C=C1
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2,5H,8H2
InChIKeyFLTPGJOVBRTMNJ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.63
Rot. Bonds

About 3-amino-2-oxo-3H-pyridine-6-carbonitrile

3-amino-2-oxo-3H-pyridine-6-carbonitrile (PubChem CID 178188837) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-amino-2-oxo-3H-pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-amino-2-oxo-3H-pyridine-6-carbonitrile
PubChem CID178188837
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-amino-2-oxo-3H-pyridine-6-carbonitrile
SMILESN#CC1=NC(=O)C(N)C=C1
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2,5H,8H2
InChIKeyFLTPGJOVBRTMNJ-UHFFFAOYSA-N
XLogP-0.63
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-3H-pyridine-6-carbonitrile?
The IUPAC name of 3-amino-2-oxo-3H-pyridine-6-carbonitrile (CID 178188837) is 3-amino-2-oxo-3H-pyridine-6-carbonitrile.
What is the SMILES notation for 3-amino-2-oxo-3H-pyridine-6-carbonitrile?
The canonical SMILES for 3-amino-2-oxo-3H-pyridine-6-carbonitrile is N#CC1=NC(=O)C(N)C=C1.
What is the InChIKey of 3-amino-2-oxo-3H-pyridine-6-carbonitrile?
The InChIKey is FLTPGJOVBRTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2,5H,8H2.
What are the key properties of 3-amino-2-oxo-3H-pyridine-6-carbonitrile?
3-amino-2-oxo-3H-pyridine-6-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-3H-pyridine-6-carbonitrile is sourced from PubChem (CID 178188837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).