2-amino-4-oxo-1H-pyridine-3-carbonitrile

C6H5N3O — CID 22020907

IUPAC2-amino-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N)[nH]ccc1=O
InChIInChI=1S/C6H5N3O/c7-3-4-5(10)1-2-9-6(4)8/h1-2H,(H3,8,9,10)
InChIKeyMDPCRXKLACTXDZ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.17
Rot. Bonds

About 2-amino-4-oxo-1H-pyridine-3-carbonitrile

2-amino-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 22020907) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-amino-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID22020907
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2-amino-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N)[nH]ccc1=O
InChIInChI=1S/C6H5N3O/c7-3-4-5(10)1-2-9-6(4)8/h1-2H,(H3,8,9,10)
InChIKeyMDPCRXKLACTXDZ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-oxo-1H-pyridine-3-carbonitrile (CID 22020907) is 2-amino-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(N)[nH]ccc1=O.
What is the InChIKey of 2-amino-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MDPCRXKLACTXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-4-5(10)1-2-9-6(4)8/h1-2H,(H3,8,9,10).
What are the key properties of 2-amino-4-oxo-1H-pyridine-3-carbonitrile?
2-amino-4-oxo-1H-pyridine-3-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 2-amino-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 22020907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).