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

C6H5N3O — CID 103469614

IUPAC3-amino-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1N
InChIInChI=1S/C6H5N3O/c7-3-5-4(8)1-2-6(10)9-5/h1-2H,8H2,(H,9,10)
InChIKeyUKYLSECQDIKCQW-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.17
Rot. Bonds

About 3-amino-6-oxo-1H-pyridine-2-carbonitrile

3-amino-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 103469614) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-amino-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID103469614
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-amino-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1N
InChIInChI=1S/C6H5N3O/c7-3-5-4(8)1-2-6(10)9-5/h1-2H,8H2,(H,9,10)
InChIKeyUKYLSECQDIKCQW-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 3-amino-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-oxo-1H-pyridine-2-carbonitrile (CID 103469614) is 3-amino-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)ccc1N.
What is the InChIKey of 3-amino-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is UKYLSECQDIKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-5-4(8)1-2-6(10)9-5/h1-2H,8H2,(H,9,10).
What are the key properties of 3-amino-6-oxo-1H-pyridine-2-carbonitrile?
3-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 3-amino-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 103469614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).