5-amino-6-oxo-1H-pyridine-2-carbonitrile

C6H5N3O — CID 118955431

IUPAC5-amino-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(N)c(=O)[nH]1
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2H,8H2,(H,9,10)
InChIKeyMSQPSKIEXILZBQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.17
Rot. Bonds

About 5-amino-6-oxo-1H-pyridine-2-carbonitrile

5-amino-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 118955431) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-amino-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID118955431
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-amino-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(N)c(=O)[nH]1
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2H,8H2,(H,9,10)
InChIKeyMSQPSKIEXILZBQ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Oxo-1,6-dihydropyridine-2-carbonitrile
CID 11240466
3-Amino-6-methylpyridin-2-ol
CID 15144835
5-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955382
3-Amino-6-(trifluoromethyl)pyridin-2-ol
CID 39871634
3-amino-6-fluoro-1H-pyridin-2-one
CID 130777713
3-isocyano-6-methyl-1H-pyridin-2-one
CID 23559842
5-Amino-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955385
CID 177975927
CID 177975927
3-amino-6-ethynyl-1H-pyridin-2-one
CID 74891439
3-amino-6-ethenyl-1H-pyridin-2-one
CID 74891665
3-Amino-6-hydroxypyridine-2-carbonitrile
CID 103469614
3,5-diamino-6-methyl-1H-pyridin-2-one
CID 105428033

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-oxo-1H-pyridine-2-carbonitrile (CID 118955431) is 5-amino-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1ccc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is MSQPSKIEXILZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2H,8H2,(H,9,10).
What are the key properties of 5-amino-6-oxo-1H-pyridine-2-carbonitrile?
5-amino-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 118955431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).